From 8de7c449fc6d3b80a3e9e2044339adafb704e984 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Thu, 22 Mar 2018 19:31:41 -0400
Subject: [PATCH] refactor code and examples to match LAMMPS conventions.
 whitespace cleanup. shorten examples.

---
 .../misc/ilp_gr_hBN/bilayer-graphene/log.lmp  |  228 --
 examples/USER/misc/ilp_gr_hBN/gr-hBN/log.lmp  | 1162 ---------
 examples/USER/misc/ilp_gr_hBN/log.lmp         | 1159 ---------
 .../USER/misc/ilp_graphene_hbn/BNC.tersoff    |    1 +
 .../USER/misc/ilp_graphene_hbn/BNCH-old.ILP   |    1 +
 .../bilayer-graphene/BNCH-old.ILP             |    1 +
 .../Bi_gr_AB_stack_2L_noH_300K.data           |    0
 .../bilayer-graphene/CH.airebo                |    1 +
 .../bilayer-graphene/in.bilayer-graphene      |   16 +-
 .../log.16Mar18.bilayer-graphene.g++.1        |  137 +
 .../log.16Mar18.bilayer-graphene.g++.4        |  137 +
 .../misc/ilp_graphene_hbn/gr-hBN/BNC.tersoff  |    1 +
 .../misc/ilp_graphene_hbn/gr-hBN/BNCH-old.ILP |    1 +
 .../misc/ilp_graphene_hbn/gr-hBN/CH.airebo    |    1 +
 .../gr-hBN/gr_hBN_Cstack_2L_noH.data          |    0
 .../gr-hBN/in.grhBN                           |   16 +-
 .../gr-hBN/log.16Mar18.grhBN.g++.1            |  171 ++
 .../gr-hBN/log.16Mar18.grhBN.g++.4            |  171 ++
 .../hBN_AB_stack_2L_noH_equi_300K.data        |    0
 .../in.ilp_graphene_hbn}                      |   16 +-
 .../log.16Mar18.ilp_gr_hBN.g++.1              |  168 ++
 .../log.16Mar18.ilp_gr_hBN.g++.4              |  168 ++
 src/.gitignore                                |    6 +
 src/USER-MISC/pair_coul_shield.cpp            |   64 +-
 src/USER-MISC/pair_coul_shield.h              |   10 +-
 ...p_gr_hBN.cpp => pair_ilp_graphene_hbn.cpp} | 2228 ++++++++--------
 ...r_ilp_gr_hBN.h => pair_ilp_graphene_hbn.h} |  286 +--
 src/USER-MISC/pair_kolmogorov_crespi_full.cpp | 2235 ++++++++---------
 src/USER-MISC/pair_kolmogorov_crespi_full.h   |  294 +--
 29 files changed, 3542 insertions(+), 5137 deletions(-)
 delete mode 100644 examples/USER/misc/ilp_gr_hBN/bilayer-graphene/log.lmp
 delete mode 100644 examples/USER/misc/ilp_gr_hBN/gr-hBN/log.lmp
 delete mode 100644 examples/USER/misc/ilp_gr_hBN/log.lmp
 create mode 120000 examples/USER/misc/ilp_graphene_hbn/BNC.tersoff
 create mode 120000 examples/USER/misc/ilp_graphene_hbn/BNCH-old.ILP
 create mode 120000 examples/USER/misc/ilp_graphene_hbn/bilayer-graphene/BNCH-old.ILP
 rename examples/USER/misc/{ilp_gr_hBN => ilp_graphene_hbn}/bilayer-graphene/Bi_gr_AB_stack_2L_noH_300K.data (100%)
 create mode 120000 examples/USER/misc/ilp_graphene_hbn/bilayer-graphene/CH.airebo
 rename examples/USER/misc/{ilp_gr_hBN => ilp_graphene_hbn}/bilayer-graphene/in.bilayer-graphene (77%)
 create mode 100644 examples/USER/misc/ilp_graphene_hbn/bilayer-graphene/log.16Mar18.bilayer-graphene.g++.1
 create mode 100644 examples/USER/misc/ilp_graphene_hbn/bilayer-graphene/log.16Mar18.bilayer-graphene.g++.4
 create mode 120000 examples/USER/misc/ilp_graphene_hbn/gr-hBN/BNC.tersoff
 create mode 120000 examples/USER/misc/ilp_graphene_hbn/gr-hBN/BNCH-old.ILP
 create mode 120000 examples/USER/misc/ilp_graphene_hbn/gr-hBN/CH.airebo
 rename examples/USER/misc/{ilp_gr_hBN => ilp_graphene_hbn}/gr-hBN/gr_hBN_Cstack_2L_noH.data (100%)
 rename examples/USER/misc/{ilp_gr_hBN => ilp_graphene_hbn}/gr-hBN/in.grhBN (79%)
 create mode 100644 examples/USER/misc/ilp_graphene_hbn/gr-hBN/log.16Mar18.grhBN.g++.1
 create mode 100644 examples/USER/misc/ilp_graphene_hbn/gr-hBN/log.16Mar18.grhBN.g++.4
 rename examples/USER/misc/{ilp_gr_hBN => ilp_graphene_hbn}/hBN_AB_stack_2L_noH_equi_300K.data (100%)
 rename examples/USER/misc/{ilp_gr_hBN/in.ilp_gr_hBN => ilp_graphene_hbn/in.ilp_graphene_hbn} (79%)
 create mode 100644 examples/USER/misc/ilp_graphene_hbn/log.16Mar18.ilp_gr_hBN.g++.1
 create mode 100644 examples/USER/misc/ilp_graphene_hbn/log.16Mar18.ilp_gr_hBN.g++.4
 rename src/USER-MISC/{pair_ilp_gr_hBN.cpp => pair_ilp_graphene_hbn.cpp} (90%)
 rename src/USER-MISC/{pair_ilp_gr_hBN.h => pair_ilp_graphene_hbn.h} (90%)

diff --git a/examples/USER/misc/ilp_gr_hBN/bilayer-graphene/log.lmp b/examples/USER/misc/ilp_gr_hBN/bilayer-graphene/log.lmp
deleted file mode 100644
index 4370d02116..0000000000
--- a/examples/USER/misc/ilp_gr_hBN/bilayer-graphene/log.lmp
+++ /dev/null
@@ -1,228 +0,0 @@
-LAMMPS (5 Feb 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:90)
-  using 1 OpenMP thread(s) per MPI task
-# Initialization
-units           metal
-boundary        p p p
-atom_style      full
-processors      * * 1     # domain decomposition over x and y
-
-# System and atom definition
-# we use 2 atom types so that inter- and intra-layer
-# interactions can be specified separately
-# read lammps data file
-read_data       Bi_gr_AB_stack_2L_noH_300K.data
-  orthogonal box = (0 0 0) to (42.6 41.8117 100)
-  2 by 2 by 1 MPI processor grid
-  reading atoms ...
-  1360 atoms
-  reading velocities ...
-  1360 velocities
-  0 = max # of 1-2 neighbors
-  0 = max # of 1-3 neighbors
-  0 = max # of 1-4 neighbors
-  1 = max # of special neighbors
-mass            1 12.0107   # carbon mass (g/mole) | membrane
-mass            2 12.0107   # carbon mass (g/mole) | adsorbate
-# Separate atom groups
-group membrane  type 1
-680 atoms in group membrane
-group adsorbate type 2
-680 atoms in group adsorbate
-
-######################## Potential defition ########################
-pair_style  hybrid/overlay  rebo  ILP/graphene/hBN 16.0
-####################################################################
-pair_coeff  * * rebo               CH.airebo      NULL C  # chemical
-Reading potential file CH.airebo with DATE: 2011-10-25
-pair_coeff  * * ILP/graphene/hBN   BNCH-old.ILP   C    C  # long range
-####################################################################
-# Neighbor update settings
-neighbor        2.0 bin
-neigh_modify    every 1
-neigh_modify    delay 0
-neigh_modify    check yes
-
-# calculate the COM
-variable        adsxcom equal xcm(adsorbate,x)
-variable        adsycom equal xcm(adsorbate,y)
-variable        adszcom equal xcm(adsorbate,z)
-variable        adsvxcom equal vcm(adsorbate,x)
-variable        adsvycom equal vcm(adsorbate,y)
-variable        adsvzcom equal vcm(adsorbate,z)
-
-#### Simulation settings ####
-timestep  0.001
-#velocity  adsorbate create 300.0 12345
-fix       subf membrane setforce 0.0 0.0 0.0
-fix       thermostat all nve
-
-compute   0 all pair rebo
-compute   1 all pair ILP/graphene/hBN
-variable  REBO     equal c_0
-variable  ILP      equal c_1
-
-############################
-
-# Output
-thermo          100
-thermo_style    custom step cpu etotal pe ke v_REBO v_ILP temp v_adsxcom v_adsycom v_adszcom v_adsvxcom v_adsvycom v_adsvzcom
-thermo_modify   line one format float %.16f
-thermo_modify   flush yes norm no lost warn
-
-dump            1 all custom 1000 traj.lammpstrj id mol type xu yu zu
-dump_modify     1 format line "%7d %3d %3d %15.10g %15.10g %15.10g" flush yes
-
-###### Run molecular dynamics ######
-run 10000
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 18
-  ghost atom cutoff = 18
-  binsize = 9, bins = 5 5 12
-  2 neighbor lists, perpetual/occasional/extra = 2 0 0
-  (1) pair rebo, perpetual, skip from (2)
-      attributes: full, newton on, ghost
-      pair build: skip/ghost
-      stencil: none
-      bin: none
-  (2) pair ILP/graphene/hBN, perpetual
-      attributes: full, newton on, ghost
-      pair build: full/bin/ghost
-      stencil: full/ghost/bin/3d
-      bin: standard
-Per MPI rank memory allocation (min/avg/max) = 12.39 | 12.39 | 12.39 Mbytes
-Step CPU TotEng PotEng KinEng v_REBO v_ILP Temp v_adsxcom v_adsycom v_adszcom v_adsvxcom v_adsvycom v_adsvzcom 
-       0 0.0000000000000000 -5029.3801131277232344 -5044.0700799791011377 14.6899668513774859 -5011.2636297758563160 -32.8064502032452268 83.6251135126841376 22.0155657205247799 20.2812150219063234 3.4623630944674200 0.0282287194990573 0.0535565744690331 0.2193320108238477 
-     100 1.2623029460082762 -5029.3895815657115236 -5045.3201249689691394 15.9305434032573761 -5012.4897058028163883 -32.8304191661527582 90.6873047362403781 22.0181751544732087 20.2867946176261533 3.4502536830854829 0.0239131348561319 0.0576557373214319 -0.4387830564309839 
-     200 2.5089902369654737 -5029.3874064118581373 -5045.8119502227937119 16.4245438109355142 -5012.7276250747399899 -33.0843251480532530 93.4994853616529298 22.0202931358059395 20.2926890775462887 3.3883512918454923 0.0180268638923536 0.0596894423424165 -0.6964675465005062 
-     300 3.7808456399943680 -5029.3851410393026526 -5044.9928147366936173 15.6076736973907035 -5012.1131531405408168 -32.8796615961530279 88.8493144891503590 22.0216852688933749 20.2985091182852351 3.3368274018412345 0.0093519892779965 0.0546775051020221 -0.2110676539008828 
-     400 5.0828477439936250 -5029.3900102081943260 -5045.6706717598035539 16.2806615516088193 -5012.7330095297320440 -32.9376622300724975 92.6804113371579206 22.0220931528717330 20.3035219615837050 3.3560233852136392 -0.0015365116268860 0.0454268926971423 0.5478139708774018 
-     500 6.3374099530046806 -5029.3985510532884291 -5046.0433160610555205 16.6447650077673792 -5013.0924334585288307 -32.9508826025281962 94.7531316611500074 22.0214795943650969 20.3074656871053847 3.4232399721971314 -0.0107212023950575 0.0332249365749148 0.6595923534430731 
-     600 7.5914500529761426 -5029.3929936745525993 -5045.4367231194828491 16.0437294449299230 -5012.7046931021195633 -32.7320300173640391 91.3316353653480064 22.0200027175784747 20.3101652564580348 3.4651727437862387 -0.0178110391142554 0.0210056001697192 0.1144372537107130 
-     700 8.8539019739837386 -5029.3934435811052026 -5045.6074608403341699 16.2140172592290135 -5012.7886962164220677 -32.8187646239108304 92.3010274643678201 22.0178838793005234 20.3116257076998501 3.4432436715031316 -0.0242636236518299 0.0078323423535019 -0.5162836954824445 
-     800 10.1049926480045542 -5029.3892931255340955 -5046.2270462379728997 16.8377531124386870 -5013.2383770824435487 -32.9886691555297418 95.8517489911287015 22.0151485190623291 20.3116305041057075 3.3780520461370140 -0.0302821177574879 -0.0083184718697242 -0.6710801514935791 
-     900 11.3630027609760873 -5029.3930414671476683 -5046.0272003817681252 16.6341589146203184 -5013.2317798383628542 -32.7954205434054487 94.6927546873744745 22.0119224939835121 20.3099187654038786 3.3350551183455268 -0.0341747588450106 -0.0256858065985706 -0.0799872839190919 
-    1000 12.6231660830089822 -5029.3908907830582393 -5045.6437703691590286 16.2528795861005300 -5012.6800867884940089 -32.9636835806647710 92.5222578135494871 22.0084902521404544 20.3065746721438387 3.3658243730415687 -0.0336536244697077 -0.0406018547138186 0.6191660973820151 
-    1100 13.8672335039591417 -5029.3936273537710804 -5045.9027321589628627 16.5091048051920097 -5012.9359164310717460 -32.9668157278903138 93.9808630812208889 22.0052717045119905 20.3019474054695905 3.4333328890827421 -0.0306983142305894 -0.0504731478622083 0.5931965879862887 
-    1200 15.1198259049560875 -5029.3940797064951767 -5045.6377384352035733 16.2436587287087058 -5012.8554686686165951 -32.7822697665871203 92.4697665279069270 22.0023306815922979 20.2966557735895385 3.4659529127677287 -0.0274706885173217 -0.0547501807332978 0.0091573603413281 
-    1300 16.3654009730089456 -5029.3984566732624444 -5045.6895616381252694 16.2911049648628570 -5012.7356994597503217 -32.9538621783744219 92.7398622282092333 21.9998860754741905 20.2910565803948018 3.4345399235545337 -0.0213260369994740 -0.0568287466574244 -0.5888067543760942 
-    1400 17.6155319709796458 -5029.3815168178471140 -5045.2912598742987029 15.9097430564518749 -5012.3239955600220128 -32.9672643142766546 90.5688952544279573 21.9981598497936552 20.2854554509222993 3.3672595338608167 -0.0132303590611009 -0.0543234153355907 -0.6236559250459623 
-    1500 18.8714692159555852 -5029.3921017874845347 -5045.6708613750924997 16.2787595876079862 -5012.8369791315399198 -32.8338822435533757 92.6695840863495306 21.9974041415691559 20.2802681532087163 3.3352413807666181 -0.0014089849714996 -0.0481849064168331 0.0587582898344604 
-    1600 20.1541873109526932 -5029.3874846931976208 -5045.7731643864972284 16.3856796932995650 -5012.8388777565696728 -32.9342866299264614 93.2782448182427402 21.9977706803512874 20.2759915865795222 3.3762928385876232 0.0085254010295789 -0.0376205539327122 0.6681442617907806 
-    1700 21.4234082509647124 -5029.3869010344951676 -5045.3169437830329116 15.9300427485373124 -5012.4635360220827351 -32.8534077609500770 90.6844546748195768 21.9990330035990027 20.2727720473957298 3.4424374239173727 0.0168149635384655 -0.0269413439785030 0.5265928985608515 
-    1800 22.6835704990080558 -5029.3860480733746954 -5045.4015510274330154 16.0155029540583165 -5012.6540263485476316 -32.7475246788853056 91.1709513061473160 22.0010236218414903 20.2706889597509488 3.4653364051690918 0.0229089788849714 -0.0142749791424698 -0.1062662269544749 
-    1900 23.9297129529877566 -5029.3992153438584864 -5046.0849535192628537 16.6857381754043104 -5013.1667872952384641 -32.9181662240248301 94.9863783273459319 22.0036010850046679 20.2699115012928246 3.4242520686326885 0.0283626891504371 -0.0012584790958115 -0.6446526361083699 
-    2000 25.1922093119937927 -5029.3947678008062212 -5046.0655253357617767 16.6707575349551895 -5013.1017054839030607 -32.9638198518594550 94.9010985053609772 22.0065845205626758 20.2704964280075011 3.3582948439944240 0.0313750540289036 0.0137999047920244 -0.5449451253646518 
-    2100 26.4518803840037435 -5029.3820643301123710 -5045.4331743009661295 16.0511099708533358 -5012.5538273606616713 -32.8793469403044938 91.3736502537662716 22.0097398064544976 20.2727372928018958 3.3379848824292826 0.0322718100086602 0.0304537099550799 0.1867563300323286 
-    2200 27.7058059349656105 -5029.3843727776211381 -5045.0848436909873271 15.7004709133658302 -5012.0668628677258312 -33.0179808232617233 89.3775782897492945 22.0127920131602473 20.2765354452670756 3.3881998421430568 0.0292294495100443 0.0449660178787396 0.7042838989885432 
-    2300 28.9594137629610486 -5029.3902199294761886 -5045.3993732492435811 16.0091533197674920 -5012.5253283328802354 -32.8740449163632320 91.1348049421897599 22.0155716600061417 20.2815245415556973 3.4510500976839618 0.0259484063993953 0.0538549628124416 0.4400016714913355 
-    2400 30.2447868830058724 -5029.3940355103695765 -5045.9434469962816365 16.5494114859119250 -5013.1710648528805905 -32.7723821434015932 94.2103156582501100 22.0179797175199319 20.2871333501902136 3.4632861236609225 0.0218917592723929 0.0581043349886307 -0.2124896915144417 
-    2500 31.5081150379846804 -5029.3842094590991110 -5045.4423687097469156 16.0581592506475950 -5012.4554219817418925 -32.9869467280046536 91.4137794677353384 22.0198491689972187 20.2929823072195745 3.4144243213892453 0.0156275666670157 0.0584945195169434 -0.6844296511643093 
-    2600 32.7705356059595942 -5029.3960582840263669 -5045.6469174766025390 16.2508591925761650 -5012.8198838898442773 -32.8270335867577927 92.5107563827072994 22.0210406125338700 20.2986562400797226 3.3502383230453026 0.0082866848267277 0.0535700449402662 -0.4533139815189942 
-    2700 34.0687214930076152 -5029.4005011063927668 -5046.1812481784818374 16.7807470720886371 -5013.3384539147527903 -32.8427942637283650 95.5272324933440444 22.0214074387511722 20.3035983394416988 3.3422072391285718 -0.0010968873414058 0.0448881856269352 0.3053226005544524 
-    2800 35.3371960269869305 -5029.3918450884730191 -5045.4663013118542949 16.0744562233815529 -5012.5518420452062855 -32.9144592666481230 91.5065527332286166 22.0208057886537567 20.3075286333744920 3.3990332666058265 -0.0107042888216099 0.0331308854628973 0.7104765178449446 
-    2900 36.5826528539764695 -5029.4007271172231412 -5046.3887404126471665 16.9880132954239791 -5013.5657268280101562 -32.8230135846359303 96.7071304215778440 22.0193692100171923 20.3101603808999265 3.4577797292506842 -0.0181908513743875 0.0197672476938271 0.3528489229883396 
-    3000 37.8225702039781027 -5029.3940496855184392 -5045.4382560043904959 16.0442063188722450 -5012.6853249922505711 -32.7529310121395909 91.3343500506812944 22.0171604936519856 20.3114668671039951 3.4591467250701471 -0.0250556884411515 0.0058380040945131 -0.3232243449560073 
-    3100 39.1152549439575523 -5029.3932299425177916 -5045.7076145083992742 16.3143845658812481 -5012.7273205114888697 -32.9802939969102908 92.8723852827122727 22.0144106189674247 20.3113170196305575 3.4036898869224110 -0.0295489605326196 -0.0093545138913292 -0.6945887338714194 
-    3200 40.3652645039837807 -5029.3999346652944951 -5046.2743567265588354 16.8744220612639957 -5013.3523379216176181 -32.9220188049421125 96.0604931659067063 22.0112657104147473 20.3096089828088715 3.3446022440995744 -0.0331585594875426 -0.0245083162220922 -0.3611700155337798 
-    3300 41.7497809809865430 -5029.3912545533439697 -5045.6188249698325308 16.2275704164882058 -5012.7210368537616887 -32.8977881160708634 92.3781810975735169 22.0079411449246116 20.3062958566965044 3.3478683972107479 -0.0330599183649122 -0.0412983807445889 0.4228102245782292 
-    3400 43.0772461489541456 -5029.3913786027551396 -5045.6933303802852606 16.3019517775300287 -5012.6836451483668498 -33.0096852319176293 92.8016095384462147 22.0046876041177768 20.3016343021786838 3.4103619804324348 -0.0302848635086505 -0.0508933045183329 0.6902755158347326 
-    3500 44.3340892840060405 -5029.3864373789210731 -5044.9075681866406740 15.5211308077191479 -5012.1156930534052663 -32.7918751332351519 88.3566544957194822 22.0018906600734354 20.2961922297910284 3.4617631548194869 -0.0260020821660879 -0.0574179239791507 0.2536077963142296 
-    3600 45.5714052729890682 -5029.3956106765108416 -5045.8281093106388653 16.4324986341276862 -5013.0062724883737246 -32.8218368222655954 93.5447695341190126 21.9995902792937201 20.2903196955397753 3.4528875370982139 -0.0198574899622142 -0.0590999812510351 -0.4161058838372516 
-    3700 46.8187310720095411 -5029.3999849462825296 -5045.8608125716009454 16.4608276253185934 -5012.9301564107845479 -32.9306561608159001 93.7060370936722506 21.9980000204408341 20.2845522706275894 3.3917483074441592 -0.0115465621905488 -0.0553944579545257 -0.6931324325703953 
-    3800 48.0849941459600814 -5029.3934499086271899 -5045.0668678198253474 15.6734179111983085 -5012.2357009255956655 -32.8311668942298382 89.2235745128853779 21.9973189064792436 20.2792712394156425 3.3397277035718815 -0.0020664024879512 -0.0492333401974764 -0.2331021270184729 
-    3900 49.3429405399947427 -5029.3995770528044886 -5046.0950053993201436 16.6954283465152358 -5013.2247015792199818 -32.8703038200997284 95.0415412604762082 21.9976186964129639 20.2749399452365466 3.3551882655200593 0.0084267344129547 -0.0373784583523626 0.5086238489046713 
-    4000 50.5998689539846964 -5029.3888468870900397 -5045.4588592431082361 16.0700123560180224 -5012.5056530215588282 -32.9532062215491379 91.4812552688796359 21.9989183465402434 20.2718151808636300 3.4207597363868252 0.0165850539989395 -0.0251757999596484 0.6640462831884847 
-    4100 51.8629528660094365 -5029.3910837396306306 -5045.2793764258776719 15.8882926862469578 -5012.4770743669359945 -32.8023020589422742 90.4467854047990585 22.0009590702850808 20.2699385934667973 3.4644847478947058 0.0233393143572127 -0.0117891349194484 0.1342112403658827 
-    4200 53.1236869489657693 -5029.3984010758495060 -5046.2448879520343326 16.8464868761852031 -5013.3818327446442709 -32.8630552073907438 95.9014674140553467 22.0035487123982918 20.2693875306188644 3.4447945125877593 0.0282346202644504 0.0006576204547461 -0.4934516926995214 
-    4300 54.3830584579845890 -5029.3974364654013698 -5045.8912824487397302 16.4938459833379767 -5012.8566186763018777 -33.0346637724379022 93.8939996646779349 22.0065160962032245 20.2702208441870937 3.3813367869591255 0.0318644587592501 0.0164543727145067 -0.6628252924648856 
-    4400 55.6534237450105138 -5029.3926368191096117 -5045.2218371804192429 15.8292003613099244 -5012.3457495788206870 -32.8760876015986199 90.1103923801868518 22.0096837224699016 20.2727742192121454 3.3372739454265710 0.0314356050658150 0.0335424174115672 -0.1161529061464756 
-    4500 56.9183939939830452 -5029.3940454417834189 -5045.9258580870837250 16.5318126453004588 -5012.9929638810244796 -32.9328942060604319 94.1101312903264073 22.0128271345169999 20.2768840530886756 3.3637778632090720 0.0302602474720397 0.0485668445849368 0.5881899043646754 
-    4600 58.1842329019564204 -5029.3897931061719646 -5045.3405006579350811 15.9507075517634878 -5012.4008178333297110 -32.9396828246052280 90.8020925519495847 22.0156613833127963 20.2821435957056515 3.4302716374285005 0.0260054978861435 0.0562442375978452 0.6083123358868219 
-    4700 59.4382298499695025 -5029.3969593583269670 -5045.7810386931287212 16.3840793348014095 -5013.0572476947481846 -32.7237909983807498 93.2691345076189435 22.0180314970645661 20.2879823773636403 3.4648846252063747 0.0214335018843589 0.0598518189522713 0.0304394820826928 
-    4800 60.6967262169928290 -5029.3856671230942084 -5045.3017305595958533 15.9160634365015543 -5012.4665014359597990 -32.8352291236367648 90.6048750836845613 22.0199625290182688 20.2941047508438963 3.4363593409545792 0.0167963433674092 0.0615833915650458 -0.5541548942758866 
-    4900 61.9512241869815625 -5029.3923848959475436 -5045.7384583560833562 16.3460734601355888 -5012.7852573671316350 -32.9532009889525597 93.0527796570441836 22.0212592278909085 20.3000537186652821 3.3718475316480969 0.0086391048459562 0.0563118558122456 -0.6148391029712286 
-    5000 63.2058322129887529 -5029.3915775167406537 -5045.1695079529654322 15.7779304362247856 -5012.3445352609178371 -32.8249726920481351 89.8185296858452773 22.0217142875197673 20.3052386826657560 3.3368855121137573 -0.0005848472434748 0.0469229219675754 -0.0025464403573191 
-    5100 64.4612582869594917 -5029.3892459301187046 -5045.4092843740309036 16.0200384439126253 -5012.4115638930270507 -32.9977204810038813 91.1967703469756117 22.0211363551768393 20.3092236811018836 3.3731385391734987 -0.0104558693316052 0.0318306688289283 0.6399924297249336 
-    5200 65.7134019279619679 -5029.4030454404182819 -5046.2627024036355579 16.8596569632174536 -5013.2682522266104570 -32.9944501770255414 95.9764403553959653 22.0196975554592207 20.3116344765031158 3.4385226880437783 -0.0183768904268109 0.0160982826367598 0.5345362236176538 
-    5300 66.9578059059567750 -5029.3919597195299502 -5045.5335222071535100 16.1415624876236983 -5012.7301328351986740 -32.8033893719546015 91.8885664587487412 22.0175315555966975 20.3126154236309091 3.4630139347774884 -0.0242754059642420 0.0032173312250643 -0.0775763877645290 
-    5400 68.2489708719658665 -5029.3846231466677636 -5045.4515583416805384 16.0669351950124017 -5012.5148025922717352 -32.9367557494093148 91.4637380109446525 22.0148268891839543 20.3122214814806945 3.4262265154739362 -0.0300322552067342 -0.0114101644224351 -0.5957408015264980 
-    5500 69.5872814320027828 -5029.3976079434123676 -5046.2615016619420203 16.8638937185299866 -5013.2875337165860401 -32.9739679453564989 96.0005587994687488 22.0116064706776839 20.3102420050743042 3.3624439592830382 -0.0331793464510278 -0.0273205776972141 -0.5547024024481256 
-    5600 71.0810253079980612 -5029.3990311253737673 -5046.3786084092271267 16.9795772838533381 -5013.5810569834520720 -32.7975514257743583 96.6591070031231538 22.0082577080594533 20.3067263674726988 3.3382716477917813 -0.0327038891431524 -0.0431208290112252 0.1347255325181367 
-    5700 72.4856253899633884 -5029.3926984710069519 -5045.4056210227572592 16.0129225517498952 -5012.4766481517817738 -32.9289728709757838 91.1562619308659805 22.0050646686591129 20.3018397290024808 3.3836722937755463 -0.0302272076858413 -0.0535767293433688 0.6666043489739104 
-    5800 73.8634844649932347 -5029.3834029837780690 -5045.1129758304869029 15.7295728467090985 -5012.2694155058643446 -32.8435603246219827 89.5432459528482951 22.0022483685200818 20.2961021426530372 3.4452080928763542 -0.0254277345115299 -0.0599208650276596 0.4504328249672133 
-    5900 75.3915032909717411 -5029.3974484823693274 -5045.9428387883463074 16.5453903059766532 -5013.1858688276588509 -32.7569699606872575 94.1874244133654770 21.9999199731949346 20.2899812203382055 3.4600553052011818 -0.0206282083304644 -0.0609517769948545 -0.1746052875828525 
-    6000 76.6400258549838327 -5029.3913152258628543 -5045.4435744126367354 16.0522591867739663 -5012.4608078601768284 -32.9827665524597151 91.3801923591900334 21.9982238811128710 20.2840090111223468 3.4161665208076437 -0.0125595347519585 -0.0579440096045873 -0.6333327422350389 
-    6100 77.8959925099625252 -5029.3932757362208577 -5045.8790782711030261 16.4858025348824633 -5012.8969642404263141 -32.9821140306764420 93.8482109779551621 21.9973730537864682 20.2785476188032163 3.3549557462646411 -0.0042410493519084 -0.0506002459180393 -0.4680789345019807 
-    6200 79.1497183470055461 -5029.4088636981850868 -5046.6649961249258922 17.2561324267410470 -5013.7231617170655227 -32.9418344078599077 98.2334437902978976 21.9974997583151222 20.2740486557909172 3.3425028819702134 0.0059955322593470 -0.0383588614992616 0.2484046320153767 
-    6300 80.4047899909783155 -5029.3923725331251262 -5045.8449198462867571 16.4525473131614497 -5012.7774496031424860 -33.0674702431445411 93.6589000203849338 21.9985309965303522 20.2709033994038990 3.3945366047562309 0.0146161778945059 -0.0238717757127838 0.6755315511238056 
-    6400 81.6621199259534478 -5029.3873259574293115 -5045.4805995313954554 16.0932735739664388 -5012.6101575755155864 -32.8704419558798833 91.6136736746568658 22.0004178415001554 20.2692296192343555 3.4515126206720894 0.0224924238087105 -0.0095626954394393 0.3649317751543234 
-    6500 82.9068036190001294 -5029.3885153625169551 -5045.6513413124866929 16.2628259499700896 -5012.8502848348771295 -32.8010564776094071 92.5788791671608067 22.0028744822954785 20.2690295011692143 3.4565824273753738 0.0266893593346073 0.0051394765466491 -0.2690238272862540 
-    6600 84.1584947239607573 -5029.3921990608459964 -5045.6152780635047748 16.2230790026588494 -5012.6733651291715432 -32.9419129343335868 92.3526129669499198 22.0057446397104144 20.2703054065310688 3.4059684940340356 0.0301975147648949 0.0206588430605317 -0.6562141768091865 
-    6700 85.5309034659876488 -5029.3958221014900118 -5045.9855980438351253 16.5897759423451419 -5013.1614032626457629 -32.8241947811894832 94.4400971332701857 22.0088155297199890 20.2731431317838826 3.3483252260002931 0.0305868287843257 0.0360401338403821 -0.3706227597734457 
-    6800 86.7887097629718482 -5029.3989256161685262 -5046.1660314126675075 16.7671057964989494 -5013.3811893242827864 -32.7848420883840248 95.4495772316823547 22.0117933253442750 20.2774465117832499 3.3473285762193563 0.0293264534798696 0.0498605326239532 0.3567087933199659 
-    6900 88.0344084189855494 -5029.3894635412279968 -5045.3755615873205898 15.9860980460924917 -5012.4313435990561629 -32.9442179882648674 91.0035589089179382 22.0145527278245225 20.2830023561391073 3.4048481829747144 0.0261339472632872 0.0603043040288190 0.6629381496962342 
-    7000 89.2877694109920412 -5029.3931851776624171 -5046.2660855250323948 16.8729003473701340 -5013.4206101329300509 -32.8454753921025357 96.0518305529549394 22.0169018761537423 20.2892381473745935 3.4563764158029811 0.0215256303139502 0.0635714094149741 0.2735262616382870 
-    7100 90.5343435019603930 -5029.3943719418657565 -5045.8063859927260637 16.4120140508601793 -5012.9341376927177407 -32.8722483000083230 93.4281575894947309 22.0187504680106265 20.2956576132647477 3.4511897261914934 0.0151769557575876 0.0638586358909771 -0.3697827551013745 
-    7200 91.7890073219896294 -5029.3882574016588478 -5045.6074919269822203 16.2192345253231593 -5012.5576675194106429 -33.0498244075712222 92.3307276314112642 22.0199381323646897 20.3017542818957075 3.3949190800948910 0.0083746540157601 0.0572124597101438 -0.6554142442507734 
-    7300 93.0481603289954364 -5029.3919256510280320 -5045.3161120841996308 15.9241864331714869 -5012.3304308333417794 -32.9856812508580077 90.6511166120323679 22.0203434199504891 20.3069201065105531 3.3436661088988298 -0.0008082605025240 0.0457808438470512 -0.2589589418874469 
-    7400 94.2895189719856717 -5029.3973426785032643 -5045.6621408997361868 16.2647982212324713 -5012.7648025615653751 -32.8973383381705773 92.5901066539116755 22.0197952390567870 20.3107436357954469 3.3541554622638241 -0.0103306966484018 0.0301663424617996 0.4552583449586026 
-    7500 95.5377785899909213 -5029.3948467570653520 -5045.7331434291627374 16.3382966720969520 -5012.7514741351296834 -32.9816692940330185 93.0085089797121896 22.0182835442860032 20.3129031135621219 3.4158962237430512 -0.0195959596334220 0.0135047192390157 0.6456073746637249 
-    7600 96.8022272579837590 -5029.3931838808439352 -5045.4289963141181943 16.0358124332747032 -5012.6277589903447733 -32.8012373237726393 91.2865664414322850 22.0159526773315513 20.3134816232245754 3.4596215546593516 -0.0265035067457815 -0.0018448570141999 0.1605592216624496 
-    7700 98.0480918029788882 -5029.3927224394574296 -5045.5505410460209532 16.1578186065634384 -5012.7503911560907000 -32.8001498899307080 91.9811071571291450 22.0130792027109443 20.3125442860891496 3.4436146964093655 -0.0310809711922193 -0.0174733457478587 -0.4479487784855753 
-    7800 99.2981190299615264 -5029.4031547353506539 -5046.1752453778135532 16.7720906424625866 -5013.2528054902131771 -32.9224398875998361 95.4779543079392141 22.0098273587463140 20.3100791980582827 3.3840076444806408 -0.0342478030204245 -0.0319633867573659 -0.6355009600038708 
-    7900 100.5537567089777440 -5029.3944791921421711 -5044.9960502255426036 15.6015710334007611 -5012.1309422092845125 -32.8651080162585743 88.8145740452778938 22.0064004970442220 20.3061392621748453 3.3408200783635791 -0.0334515103138912 -0.0469088387662372 -0.1361992518732273 
-    8000 101.8002213349682279 -5029.3929935269861744 -5045.6154036718935458 16.2224101449071263 -5012.6903925591586813 -32.9250111127354685 92.3488053814068479 22.0031954529123475 20.3008903778718448 3.3630664386411944 -0.0303145741127793 -0.0573027579844121 0.5298234484194294 
-    8100 103.0604241339606233 -5029.3895181224415865 -5045.5242483757247101 16.1347302532831307 -5012.5130106423803227 -33.0112377333444016 91.8496728126257977 22.0004617169451784 20.2948581865125668 3.4259829025735637 -0.0235597360754076 -0.0625047587166574 0.5944988997279915 
-    8200 104.3003088539699093 -5029.3921128333386150 -5045.3442595710002934 15.9521467376618311 -5012.4679081513959318 -32.8763514196039210 90.8102853603699458 21.9984673460497753 20.2885772435489642 3.4606217876185612 -0.0159679066697783 -0.0624611171154739 0.0390314113354409 
-    8300 105.5484032649546862 -5029.3877455487827319 -5045.0575951302926114 15.6698495815094372 -5012.1517525987401314 -32.9058425315530698 89.2032611943938178 21.9972613261819880 20.2824755664924403 3.4344648587864106 -0.0085123036477869 -0.0597425423571583 -0.5144098325620685 
-    8400 106.7977103599696420 -5029.3940956297292360 -5045.7712194348414414 16.3771238051123973 -5012.7148337952312431 -33.0563856396105251 93.2295389819333309 21.9968254159544792 20.2768205630926097 3.3742357039982664 0.0005515507797924 -0.0525489103533247 -0.5831587742081521 
-    8500 108.0498831009608693 -5029.3966688220943979 -5045.9181006527742284 16.5214318306794148 -5013.1123929561299519 -32.8057076966441983 94.0510367525495781 21.9973649793415653 20.2722228282212278 3.3398553423288360 0.0104639615307145 -0.0388449586124005 -0.0141990665176662 
-    8600 109.3168672239989974 -5029.3901274034988091 -5045.9375078140647020 16.5473804105655624 -5012.9853021568969780 -32.9522056571671698 94.1987534193348921 21.9989049134571175 20.2690982462850933 3.3731313497904591 0.0192133927474549 -0.0232345679884083 0.5999078241684682 
-    8700 110.5636035219649784 -5029.3901389215689051 -5045.6376930378537509 16.2475541162848280 -5012.7481174817003193 -32.8895755561536873 92.4919416785743636 22.0011367928294845 20.2675706259688049 3.4350238082277742 0.0251426611885136 -0.0075450321086530 0.5206167046178872 
-    8800 111.8004809370031580 -5029.3924574370830669 -5045.1157123468474310 15.7232549097647301 -5012.3693783131229793 -32.7463340337239828 89.5072800313806596 22.0038756926631685 20.2674918694414608 3.4599837012727228 0.0287406400340964 0.0054631832109070 -0.0593929995926347 
-    8900 113.0429552759742364 -5029.3987474982423009 -5046.0489177048530109 16.6501702066103476 -5013.1575753877641546 -32.8913423170885579 94.7839016670577763 22.0068663666915683 20.2687690591312801 3.4257808041439497 0.0309099788432120 0.0202171302469460 -0.5672379170296111 
-    9000 114.3028285600012168 -5029.3950511511229706 -5045.5452299460939685 16.1501787949714100 -5012.5755502794254426 -32.9696796666691085 91.9376162413181817 22.0100025642331438 20.2715213988307390 3.3652959904269899 0.0310727498337748 0.0350587744467375 -0.5243423250951003 
-    9100 115.5504704579943791 -5029.4011682817399560 -5045.7686964972572241 16.3675282155176056 -5012.8956927574890869 -32.8730037397681514 93.1749144700332010 22.0129932323966244 20.2757847863275558 3.3416863642298322 0.0278865835662406 0.0500593574538005 0.1106488240215337 
-    9200 116.7946333579602651 -5029.4017720229812767 -5046.2095242659142968 16.8077522429334536 -5013.1790196502061008 -33.0305046157081676 95.6809639823375306 22.0155766145636562 20.2813847767229340 3.3837475995761923 0.0229459653959643 0.0606619684052993 0.6316843785669454 
-    9300 118.0373532379744574 -5029.3897983703673162 -5045.3852343116877819 15.9954359413206522 -5012.4098851963299239 -32.9753491153576448 91.0567164521802823 22.0176661603918404 20.2876093495490188 3.4433051081136128 0.0182119330164441 0.0630872424142740 0.4408646538230431 
-    9400 119.3096107059973292 -5029.3940044671780925 -5045.1494022809556554 15.7553978137776411 -5012.3373351985219415 -32.8120670824327760 89.6902589328241930 22.0191620625590261 20.2939150847352963 3.4576781527342213 0.0120237458614373 0.0624136446207651 -0.1706807559293053 
-    9500 120.5569760259822942 -5029.4028547635489304 -5046.4916138968292216 17.0887591332807105 -5013.5750575302763536 -32.9165563665534435 97.2806430926366943 22.0200362005428580 20.2999278998203252 3.4154427529782021 0.0047438742484681 0.0566484545204492 -0.6003708189460565 
-    9600 121.8032315599848516 -5029.3943080876824752 -5045.8625616630897639 16.4682535754077222 -5012.9435173518513693 -32.9190443112383448 93.7483105668138563 22.0201112440302111 20.3051306661589130 3.3573333481987917 -0.0034848828375071 0.0463786363566361 -0.4464499679272487 
-    9700 123.0481046040076762 -5029.3963743848999002 -5046.0931232530328998 16.6967488681334011 -5013.3188208671426764 -32.7743023858902305 95.0490585524709672 22.0192892506256435 20.3090481568511585 3.3449646688919508 -0.0126993251202254 0.0313153276927252 0.2347902151897416 
-    9800 124.3171976699959487 -5029.4041067798116273 -5046.2351730935588421 16.8310663137475451 -5013.3022700315450493 -32.9329030620125565 95.8136832619653376 22.0176816744773589 20.3113320548697089 3.3948762489105730 -0.0190003685475649 0.0145775023377736 0.6452872225841749 
-    9900 125.6034698109724559 -5029.3967328994849595 -5045.7044510326986710 16.3077181332140952 -5012.8792223601285514 -32.8252286725705744 92.8344354905748617 22.0154641674261171 20.3119427417383847 3.4494353673823004 -0.0251076944963040 -0.0022494305485361 0.3449321806936739 
-   10000 126.8703936609672382 -5029.3954046432463656 -5045.6299775343904912 16.2345728911443530 -5012.8287818160133611 -32.8011957183766398 92.4180438654010175 22.0127364302381388 20.3109725422284022 3.4537555828445510 -0.0290125415995836 -0.0167131954412302 -0.2644721653229455 
-Loop time of 126.87 on 4 procs for 10000 steps with 1360 atoms
-
-Performance: 6.810 ns/day, 3.524 hours/ns, 78.821 timesteps/s
-99.9% CPU use with 4 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 117.02     | 119.45     | 123.17     |  21.1 | 94.15
-Bond    | 0.0041073  | 0.0042996  | 0.004639   |   0.3 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 3.4989     | 7.2187     | 9.6549     |  85.7 |  5.69
-Output  | 0.013072   | 0.013851   | 0.016114   |   1.1 |  0.01
-Modify  | 0.060992   | 0.063045   | 0.065171   |   0.8 |  0.05
-Other   |            | 0.1165     |            |       |  0.09
-
-Nlocal:    340 ave 344 max 334 min
-Histogram: 1 0 0 0 0 0 1 0 1 1
-Nghost:    4628 ave 4634 max 4624 min
-Histogram: 1 0 1 0 1 0 0 0 0 1
-Neighs:    0 ave 0 max 0 min
-Histogram: 4 0 0 0 0 0 0 0 0 0
-FullNghs:  66301.5 ave 67860 max 63963 min
-Histogram: 1 0 0 0 0 0 1 0 1 1
-
-Total # of neighbors = 265206
-Ave neighs/atom = 195.004
-Ave special neighs/atom = 0
-Neighbor list builds = 0
-Dangerous builds = 0
-Total wall time: 0:02:06
diff --git a/examples/USER/misc/ilp_gr_hBN/gr-hBN/log.lmp b/examples/USER/misc/ilp_gr_hBN/gr-hBN/log.lmp
deleted file mode 100644
index cb6b4c330d..0000000000
--- a/examples/USER/misc/ilp_gr_hBN/gr-hBN/log.lmp
+++ /dev/null
@@ -1,1162 +0,0 @@
-LAMMPS (5 Feb 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:90)
-  using 1 OpenMP thread(s) per MPI task
-# Initialization
-units           metal
-boundary        p p p
-atom_style      full
-processors      * * 1     # domain decomposition over x and y
-
-# System and atom definition
-# we use 2 atom types so that inter- and intra-layer
-# interactions can be specified separately
-read_data       gr_hBN_Cstack_2L_noH.data
-  orthogonal box = (0 0 0) to (44.583 42.9 100)
-  2 by 2 by 1 MPI processor grid
-  reading atoms ...
-  1440 atoms
-  0 = max # of 1-2 neighbors
-  0 = max # of 1-3 neighbors
-  0 = max # of 1-4 neighbors
-  1 = max # of special neighbors
-mass            1 10.8110   # boron    mass (g/mole) | membrane
-mass            2 14.0067   # nitrogen mass (g/mole) | membrane
-mass            3 12.0107   # carbon   mass (g/mole) | adsorbate
-# Separate atom groups
-group membrane  type 1 2
-720 atoms in group membrane
-group adsorbate type 3
-720 atoms in group adsorbate
-
-######################## Potential defition ########################
-pair_style  hybrid/overlay rebo tersoff ILP/graphene/hBN 16.0 coul/shield 16.0
-####################################################################
-pair_coeff  * * rebo               CH.airebo     NULL NULL C    # chemical
-Reading potential file CH.airebo with DATE: 2011-10-25
-pair_coeff  * * tersoff            BNC.tersoff   B    N    NULL # chemical
-Reading potential file BNC.tersoff with DATE: 2013-03-21
-pair_coeff  * * ILP/graphene/hBN   BNCH-old.ILP  B    N    C    # long range
-pair_coeff  1 1 coul/shield 0.70
-pair_coeff  1 2 coul/shield 0.69498201415576216335
-pair_coeff  2 2 coul/shield 0.69
-####################################################################
-# Neighbor update settings
-neighbor        2.0 bin
-neigh_modify    every 1
-neigh_modify    delay 0
-neigh_modify    check yes
-
-# calculate the COM
-variable        adsxcom equal xcm(adsorbate,x)
-variable        adsycom equal xcm(adsorbate,y)
-variable        adszcom equal xcm(adsorbate,z)
-variable        adsvxcom equal vcm(adsorbate,x)
-variable        adsvycom equal vcm(adsorbate,y)
-variable        adsvzcom equal vcm(adsorbate,z)
-
-#### Simulation settings ####
-timestep  0.001
-velocity  all create 300.0 12345
-fix       thermostat all nve
-
-compute   0 all pair rebo
-compute   1 all pair tersoff
-compute   2 all pair ILP/graphene/hBN
-compute   3 all pair coul/shield
-variable  REBO     equal  c_0
-variable  Tersoff  equal  c_1
-variable  EILP     equal  c_2
-variable  Ecoul    equal  c_3
-
-# Calculate the pair potential between the substrate and slider
-compute         sldsub adsorbate group/group membrane
-variable        Evdw equal c_sldsub
-
-############################
-
-# Output
-thermo          100
-thermo_style    custom step cpu etotal pe ke v_Evdw v_Tersoff v_REBO v_EILP v_Ecoul temp v_adsxcom v_adsycom v_adszcom v_adsvxcom v_adsvycom v_adsvzcom
-thermo_modify   line one format float %.16f
-
-dump            1 all custom 1000 traj.lammpstrj id mol type xu yu zu
-dump_modify     1 format line "%7d %3d %3d %15.10g %15.10g %15.10g" flush yes
-
-###### Run molecular dynamics ######
-run 100000
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 18
-  ghost atom cutoff = 18
-  binsize = 9, bins = 5 5 12
-  7 neighbor lists, perpetual/occasional/extra = 6 1 0
-  (1) pair rebo, perpetual, skip from (3)
-      attributes: full, newton on, ghost
-      pair build: skip/ghost
-      stencil: none
-      bin: none
-  (2) pair tersoff, perpetual, skip from (6)
-      attributes: full, newton on
-      pair build: skip
-      stencil: none
-      bin: none
-  (3) pair ILP/graphene/hBN, perpetual
-      attributes: full, newton on, ghost
-      pair build: full/bin/ghost
-      stencil: full/ghost/bin/3d
-      bin: standard
-  (4) pair coul/shield, perpetual, half/full from (2)
-      attributes: half, newton on
-      pair build: halffull/newton/skip
-      stencil: none
-      bin: none
-  (5) compute group/group, occasional, copy from (7)
-      attributes: half, newton on
-      pair build: copy
-      stencil: none
-      bin: none
-  (6) neighbor class addition, perpetual, copy from (3)
-      attributes: full, newton on
-      pair build: copy
-      stencil: none
-      bin: none
-  (7) neighbor class addition, perpetual, half/full from (6)
-      attributes: half, newton on
-      pair build: halffull/newton
-      stencil: none
-      bin: none
-Per MPI rank memory allocation (min/avg/max) = 15.52 | 15.52 | 15.52 Mbytes
-Step CPU TotEng PotEng KinEng v_Evdw v_Tersoff v_REBO v_EILP v_Ecoul Temp v_adsxcom v_adsycom v_adszcom v_adsvxcom v_adsvycom v_adsvzcom 
-       0 0.0000000000000000 -10708.4531746011361975 -10764.2547791976357985 55.8016045965000060 -66.8250335415468726 -5401.7347845703015992 -5322.2780762735364988 -40.2419183537966205 0.0000000000000000 300.0000000000000000 21.6722857297055427 22.1649999999999601 3.3299999999999823 0.1682661410338235 -0.0842226772407628 0.1056563754793530 
-     100 1.4861709080287255 -10708.2491256386783789 -10738.4532793285252410 30.2041536898466667 -68.8603937785331652 -5389.4304136166992976 -5309.6361134033404596 -39.3867523084863294 0.0000000000000000 162.3832535368049435 21.6879886705905811 22.1574778199177764 3.3223279482265395 0.1346509596295991 -0.0580689193941861 -0.1274433614211327 
-     200 2.9137014060397632 -10708.1985754489687679 -10736.7142682476842310 28.5156927987159143 -70.0276479250658497 -5388.8677096500996413 -5308.3263464523788571 -39.5202121452049226 0.0000000000000000 153.3057678443774421 21.6968427595620810 22.1541506319529979 3.3143666142049790 0.0334706445395897 -0.0081639881661114 -0.0055006320589165 
-     300 4.3658994309953414 -10708.1878214115895389 -10736.9033486636162706 28.7155272520258933 -68.2422175765387067 -5388.5952548022005431 -5308.9505338445287634 -39.3575600168867226 0.0000000000000000 154.3801157314407817 21.6939171741272574 22.1551483320886788 3.3251666345560014 -0.0896064591312053 0.0248921781067055 0.1717740195972095 
-     400 5.7854100230033509 -10708.2036103906084463 -10738.2295882994130807 30.0259779088045029 -67.4993928655289892 -5389.4510311344674847 -5309.1985887571336207 -39.5799684078113003 0.0000000000000000 161.4253467758942975 21.6806789605448884 22.1589742804207503 3.3300374169536315 -0.1615300495994539 0.0532638208771711 -0.1185426799419381 
-     500 7.2681881220196374 -10708.1853082160723716 -10736.0245173060247907 27.8392090899521598 -69.9737746636475890 -5387.9379921501149511 -5308.5551693329143745 -39.5313558229953514 0.0000000000000000 149.6688632410668731 21.6641276775695886 22.1655659010533874 3.3143210751318137 -0.1579504333920775 0.0766822603928680 -0.1154029266484772 
-     600 8.6987234640400857 -10708.1781001285326056 -10736.4254568395626848 28.2473567110297346 -69.9368770272967453 -5388.3515507736447034 -5308.6700567475181742 -39.4038493184001197 0.0000000000000000 151.8631421907254833 21.6516789999432824 22.1733266591586506 3.3149997184280156 -0.0805825342720196 0.0684349609096336 0.1419617624418829 
-     700 10.3793026990024373 -10708.1867253590044129 -10736.6143955088427902 28.4276701498385513 -67.1597096579427699 -5387.8570063253209810 -5309.0676141639723937 -39.6897750195478523 0.0000000000000000 152.8325414048483992 21.6489884053739274 22.1774523944787170 3.3315351815569931 0.0259900263273190 0.0094570834912734 0.0707953687737380 
-     800 11.8149554400006309 -10708.1733385054776591 -10736.0277775930444477 27.8544390875668135 -68.6354557276259953 -5388.1933954710802936 -5308.5094712719383097 -39.3249108500238762 0.0000000000000000 149.7507425941327028 21.6565725155815656 22.1751617515450548 3.3227650179672770 0.1222442822660201 -0.0531420670135626 -0.1677749692582938 
-     900 13.2324638250283897 -10708.1827888041989354 -10737.2646739167503256 29.0818851125522038 -70.2218493215918329 -5387.9824857334970147 -5309.6527953487966442 -39.6293928344559845 0.0000000000000000 156.3497250097514950 21.6716950832551554 22.1680989333593601 3.3131455845914846 0.1650154384686102 -0.0820901424701169 0.0072049299559001 
-    1000 14.6628427760442719 -10708.1804322657098965 -10736.1966428008945513 28.0162105351840935 -68.3753745517145006 -5388.2611029662393776 -5308.4521913186626989 -39.4833485159933559 0.0000000000000000 150.6204565501401191 21.6865468141464888 22.1602434319145623 3.3246621698642129 0.1213363700861869 -0.0688593023449535 0.1701174943046191 
-    1100 16.0943796920473687 -10708.1929109369593789 -10737.5322844540805818 29.3393735171205527 -67.3520049091091835 -5389.0000531304558535 -5309.1265075277333381 -39.4057237958907791 0.0000000000000000 157.7340314634650156 21.6948084566085697 22.1549926275558917 3.3302676829022326 0.0388267547885482 -0.0333523036210389 -0.0862867980778089 
-    1200 17.4968243950279430 -10708.1883680443006597 -10736.7117350944463396 28.5233670501460530 -69.9191931842472911 -5388.1986808120163914 -5308.8132870137833379 -39.6997672686466672 0.0000000000000000 153.3470260742381868 21.6932935841932348 22.1541856214364792 3.3147305034508112 -0.0715026830165346 0.0211280666072023 -0.1437905627391044 
-    1300 18.9069691229960881 -10708.1753070340419072 -10736.1965958815744671 28.0212888475318103 -70.2391440447474764 -5387.7943706454680068 -5309.0177688494441099 -39.3844563866607871 0.0000000000000000 150.6477585195965787 21.6817954330019660 22.1590373145615125 3.3132100641046631 -0.1468102281730520 0.0688870112436388 0.1446744984237824 
-    1400 20.3351483370061032 -10708.1817429108341457 -10736.9243316773936385 28.7425887665601394 -67.0216653632163428 -5388.2710651562174462 -5309.0898102309492970 -39.5634562902266964 0.0000000000000000 154.5256035613872143 21.6660478853775160 22.1657463424745202 3.3319672572308239 -0.1572354460784853 0.0598392164617156 0.0998183587324003 
-    1500 21.7733753220527433 -10708.1744136914730916 -10735.7854332655278995 27.6110195740551028 -68.3916777807588545 -5387.3855215556741314 -5308.9743174335826552 -39.4255942762709779 0.0000000000000000 148.4420731646142997 21.6525935829686844 22.1707708357250510 3.3252833605985397 -0.1010854297035522 0.0432045619732538 -0.1639147396947071 
-    1600 23.3542949880356900 -10708.1753180385967426 -10736.2417979825768271 28.0664799439801271 -70.1856977667047062 -5387.9331560283308136 -5308.8049008169618901 -39.5037411372824607 0.0000000000000000 150.8907144172365804 21.6478528709316578 22.1744223633146937 3.3127589595611484 0.0102738988736312 0.0245950887805499 -0.0392212447442811 
-    1700 24.7734329910017550 -10708.1694218188094965 -10735.7610414158207277 27.5916195970119631 -68.9459833378432023 -5387.5173850087739993 -5308.6177003063894517 -39.6259561006579162 0.0000000000000000 148.3377752119832564 21.6547146956770753 22.1742244369644332 3.3204898711335393 0.1225260996754205 -0.0291775274509911 0.1453803067740772 
-    1800 26.2064106980105862 -10708.1752142030127288 -10736.3060771661366744 28.1308629631231248 -67.7954124821226003 -5387.8451078662801592 -5308.9448215158936364 -39.5161477839624098 0.0000000000000000 151.2368497279066730 21.6702776805970920 22.1695507074862803 3.3281679468015066 0.1743538423588675 -0.0578731478558780 -0.0199566725631913 
-    1900 27.6336655000341125 -10708.1708853118252591 -10735.8275920619926183 27.6567067501677641 -69.1045862941534494 -5388.2586453545100085 -5308.0651604955928633 -39.5037862118887446 0.0000000000000000 148.6876960805305430 21.6866906575562233 22.1630065451788809 3.3194856492266958 0.1408078558464219 -0.0710657409000204 -0.1103548597041148 
-    2000 29.0400926870061085 -10708.1802696685663250 -10736.2754355478646175 28.0951658792976744 -70.0394202155522692 -5387.8310689968620864 -5308.8917283952305297 -39.5526381557695288 0.0000000000000000 151.0449354411209697 21.6963193907300997 22.1567775573481960 3.3143624115097481 0.0418861835978816 -0.0469859438175831 0.0425699044097690 
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-Loop time of 1473.19 on 4 procs for 100000 steps with 1440 atoms
-
-Performance: 5.865 ns/day, 4.092 hours/ns, 67.880 timesteps/s
-99.9% CPU use with 4 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 1283.2     | 1349.7     | 1435.1     | 174.7 | 91.62
-Bond    | 0.042192   | 0.04482    | 0.046891   |   0.8 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 32.91      | 118.23     | 184.78     | 590.1 |  8.03
-Output  | 3.5155     | 3.5172     | 3.5221     |   0.2 |  0.24
-Modify  | 0.48997    | 0.51016    | 0.53903    |   2.5 |  0.03
-Other   |            | 1.142      |            |       |  0.08
-
-Nlocal:    360 ave 380 max 340 min
-Histogram: 2 0 0 0 0 0 0 0 0 2
-Nghost:    4716 ave 4736 max 4696 min
-Histogram: 2 0 0 0 0 0 0 0 0 2
-Neighs:    35100 ave 37050 max 33150 min
-Histogram: 2 0 0 0 0 0 0 0 0 2
-FullNghs:  70200 ave 74100 max 66300 min
-Histogram: 2 0 0 0 0 0 0 0 0 2
-
-Total # of neighbors = 280800
-Ave neighs/atom = 195
-Ave special neighs/atom = 0
-Neighbor list builds = 0
-Dangerous builds = 0
-Total wall time: 0:24:33
diff --git a/examples/USER/misc/ilp_gr_hBN/log.lmp b/examples/USER/misc/ilp_gr_hBN/log.lmp
deleted file mode 100644
index f12cb53aa4..0000000000
--- a/examples/USER/misc/ilp_gr_hBN/log.lmp
+++ /dev/null
@@ -1,1159 +0,0 @@
-LAMMPS (5 Feb 2018)
-OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (../comm.cpp:90)
-  using 1 OpenMP thread(s) per MPI task
-# Initialization
-units           metal
-boundary        p p p
-atom_style      full
-processors      * * 1     # domain decomposition over x and y
-
-# System and atom definition
-# we use 2 atom types so that inter- and intra-layer
-# interactions can be specified separately
-read_data       hBN_AB_stack_2L_noH_equi_300K.data
-  orthogonal box = (0 0 0) to (43.38 42.5773 100)
-  2 by 2 by 1 MPI processor grid
-  reading atoms ...
-  1360 atoms
-  reading velocities ...
-  1360 velocities
-  0 = max # of 1-2 neighbors
-  0 = max # of 1-3 neighbors
-  0 = max # of 1-4 neighbors
-  1 = max # of special neighbors
-mass            1 10.8110   # boron mass (g/mole) | membrane
-mass            2 14.0067   # nitrogen mass (g/mole) | adsorbate
-mass            3 10.8110   # boron mass (g/mole) | membrane
-mass            4 14.0067   # nitrogen mass (g/mole) | adsorbate
-# Separate atom groups
-group membrane  type 1 2
-680 atoms in group membrane
-group adsorbate type 3 4
-680 atoms in group adsorbate
-
-######################## Potential defition ########################
-pair_style  hybrid/overlay  tersoff  ILP/graphene/hBN 16.0 coul/shield 16.0 1
-####################################################################
-pair_coeff  * * tersoff          BNC.tersoff   NULL NULL B N  # chemical
-Reading potential file BNC.tersoff with DATE: 2013-03-21
-pair_coeff  * * ILP/graphene/hBN BNCH-old.ILP  B N B N  # long range
-pair_coeff  1 3 coul/shield 0.70
-pair_coeff  1 4 coul/shield 0.69498201415576216335
-pair_coeff  2 3 coul/shield 0.69498201415576216335
-pair_coeff  2 4 coul/shield 0.69
-####################################################################
-# Neighbor update settings
-neighbor        2.0 bin
-neigh_modify    every 1
-neigh_modify    delay 0
-neigh_modify    check yes
-
-# calculate the COM
-variable        adsxcom equal xcm(adsorbate,x)
-variable        adsycom equal xcm(adsorbate,y)
-variable        adszcom equal xcm(adsorbate,z)
-variable        adsvxcom equal vcm(adsorbate,x)
-variable        adsvycom equal vcm(adsorbate,y)
-variable        adsvzcom equal vcm(adsorbate,z)
-
-#### Simulation settings ####
-timestep  0.001
-#velocity  adsorbate create 300.0 12345
-fix       subf membrane setforce 0.0 0.0 0.0
-fix       thermostat all nve
-
-compute   0 all pair tersoff
-compute   1 all pair coul/shield ecoul
-compute   2 all pair ILP/graphene/hBN
-variable  Tersoff  equal c_0
-variable  Ecoul    equal c_1
-variable  EILP     equal c_2
-
-# Calculate the pair potential between the substrate and slider
-compute         sldsub adsorbate group/group membrane
-variable        Evdw equal c_sldsub
-
-############################
-
-# Output
-thermo          100
-thermo_style    custom step cpu etotal pe ke v_Evdw v_Tersoff v_EILP v_Ecoul temp v_adsxcom v_adsycom v_adszcom v_adsvxcom v_adsvycom v_adsvzcom f_subf[1] f_subf[2] f_subf[3]
-thermo_modify   line one format float %.15f
-thermo_modify   flush yes norm no lost warn #ignore
-
-dump            1 all custom 1000 traj.lammpstrj id mol type xu yu zu
-dump_modify     1 format line "%7d %3d %3d %15.10g %15.10g %15.10g" flush yes
-
-###### Run molecular dynamics ######
-run 100000
-Neighbor list info ...
-  update every 1 steps, delay 0 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 18
-  ghost atom cutoff = 18
-  binsize = 9, bins = 5 5 12
-  6 neighbor lists, perpetual/occasional/extra = 5 1 0
-  (1) pair tersoff, perpetual, skip from (5)
-      attributes: full, newton on
-      pair build: skip
-      stencil: none
-      bin: none
-  (2) pair ILP/graphene/hBN, perpetual
-      attributes: full, newton on, ghost
-      pair build: full/bin/ghost
-      stencil: full/ghost/bin/3d
-      bin: standard
-  (3) pair coul/shield, perpetual, skip from (6)
-      attributes: half, newton on
-      pair build: skip
-      stencil: none
-      bin: none
-  (4) compute group/group, occasional, copy from (6)
-      attributes: half, newton on
-      pair build: copy
-      stencil: none
-      bin: none
-  (5) neighbor class addition, perpetual, copy from (2)
-      attributes: full, newton on
-      pair build: copy
-      stencil: none
-      bin: none
-  (6) neighbor class addition, perpetual, half/full from (5)
-      attributes: half, newton on
-      pair build: halffull/newton
-      stencil: none
-      bin: none
-Per MPI rank memory allocation (min/avg/max) = 31.9 | 31.9 | 31.9 Mbytes
-Step CPU TotEng PotEng KinEng v_Evdw v_Tersoff v_EILP v_Ecoul Temp v_adsxcom v_adsycom v_adszcom v_adsvxcom v_adsvycom v_adsvzcom f_subf[1] f_subf[2] f_subf[3] 
-       0 0.000000000000000 -5114.662807859761415 -5127.858635505528582 13.195827645766878 -75.365223420944801 -5091.412085746463163 -36.083113782917586 -0.363435976148059 75.119474123768683 20.911320253673178 20.658221587816563 3.289597661205178 -0.049514793714591 -0.055223351593034 -0.016659261880707 -0.174279020202193 -0.088466593560393 -0.801081680062369 
-     100 1.982214090006892 -5114.662058058320326 -5127.695834934162121 13.033776875841815 -75.224948777822178 -5091.240791931140848 -36.092760141575866 -0.362282861444505 74.196972788884423 20.907612963070399 20.653416297156912 3.290811831782804 -0.023480219553971 -0.039783241002819 0.033240474495919 -0.243004243868873 -0.159810918512994 -0.535124627505132 
-     200 3.928320756996982 -5114.663063786485509 -5127.594514090558732 12.931450304073058 -74.644516739313730 -5091.150757191227967 -36.086668894067856 -0.357088005261893 73.614461523467668 20.906769610506228 20.650524005054177 3.297657524095742 0.007896787249971 -0.017038530211461 0.085044797270044 -0.293404164817952 -0.240529516514655 0.230920080681331 
-     300 5.886197693995200 -5114.669383012117578 -5128.328623142084325 13.659240129966770 -74.222351894177137 -5091.864555541881600 -36.110786009778295 -0.353281590424589 77.757527836652116 20.909014650002437 20.650244571692106 3.302452502588858 0.035243732923528 0.011227901470070 -0.002139921614004 -0.216651617451874 -0.241066126660790 0.900745861448835 
-     400 7.825999256980140 -5114.661403540435458 -5127.642378475410624 12.980974934974936 -74.654829543193188 -5091.234801146523751 -36.049634051551649 -0.357943277335819 73.896388836357076 20.913627618290128 20.652681004506498 3.297722595073193 0.055662950249470 0.035832435441892 -0.073828729584472 -0.143122101647559 -0.162673962345852 0.067304612176823 
-     500 9.832892341015395 -5114.659987623436791 -5127.409781312180712 12.749793688744193 -75.226868782878483 -5090.928460850429474 -36.119570704207895 -0.361749757544155 72.580350607432351 20.919705076982680 20.657151031146643 3.290905890298970 0.063193908469528 0.053026960173162 -0.051694029651734 -0.011297684365372 -0.121700914738999 -0.471342231900522 
-     600 11.829763381974772 -5114.667277346447008 -5128.091298382894820 13.424021036448258 -75.384811253473416 -5091.633888318873687 -36.093840150969790 -0.363569913051234 76.418503481127999 20.925825286230449 20.662832203116533 3.289280523414508 0.057339622615950 0.057908544036778 0.029185398183458 0.105995075754287 0.010226612540080 -0.768321479414746 
-     700 13.782923451974057 -5114.660964724954283 -5127.746672063719416 13.085707338765573 -74.798178946980187 -5091.281109500761886 -36.106638573220039 -0.358923989737947 74.492595706260730 20.930709213435112 20.668355432428079 3.295795941136376 0.039674401286030 0.050334737789710 0.081826771099528 0.173790370586712 0.125876115592734 0.130718598876543 
-     800 15.728791279019788 -5114.662262766683853 -5128.013040626401562 13.350777859718109 -74.295244885383738 -5091.569397562494487 -36.089718031442004 -0.353925032465271 76.001554346384793 20.933444107944407 20.672512524019020 3.301957018128777 0.014227764572027 0.031311664553856 0.029167313198060 0.245747879291777 0.191208277031338 0.723982355311989 
-     900 17.725098960974719 -5114.667546956133265 -5128.149693380125427 13.482146423991718 -74.364489857254370 -5091.670386175048407 -36.124678514534295 -0.354628690543641 76.749392051569870 20.933440355796776 20.674418149438303 3.300558239406743 -0.014139935463757 0.006354398639005 -0.056120661910500 0.237015192299092 0.211570756034599 0.782201760625605 
-    1000 19.670033906004392 -5114.668314614430528 -5128.336460911285030 13.668146296854216 -75.109157901949942 -5091.937021006927353 -36.037596434912182 -0.361843469444845 77.808227693531350 20.930664309566954 20.673723885268842 3.292218169908533 -0.041121985383610 -0.020069420386390 -0.078819356472528 0.222517543116532 0.237741341182587 -0.587528855712424 
-    1100 21.621227974013891 -5114.667378869704407 -5128.067852058199605 13.400473188495374 -75.449181784952756 -5091.576830903499285 -36.127472567317540 -0.363548587383080 76.284453385715111 20.925542177645937 20.670526853182864 3.288570984311594 -0.059245875446720 -0.042521563338502 0.007898477483005 0.111199253059243 0.155002193998376 -0.735399686809614 
-    1200 23.675972700002603 -5114.660469033763547 -5127.766053555013059 13.105584521249694 -74.989956516539479 -5091.315298721397994 -36.090113949182040 -0.360640884432584 74.605749919497853 20.919209738862417 20.665565620246348 3.293602097281739 -0.064591522967805 -0.054827688519038 0.082745383642460 -0.017013478603738 0.070997545022477 -0.211264841633930 
-    1300 25.618752036010846 -5114.665492396386071 -5128.238733321424661 13.573240925038325 -74.301914905628053 -5091.789326411464572 -36.094913561196563 -0.354493348764568 77.267962860304507 20.913198305565398 20.659831100794850 3.301527783865970 -0.053075252495755 -0.057160457208159 0.053941134195104 -0.140201926433433 -0.068944836805277 0.735757569884708 
-    1400 27.572537155996542 -5114.666054870262997 -5127.903860481010270 13.237805610747445 -74.224365956982254 -5091.428560106814984 -36.122267251139732 -0.353033123054591 75.358440768285121 20.908870549280856 20.654748024030066 3.302369668458910 -0.032570667830482 -0.043395021674476 -0.044293334266144 -0.202307848439626 -0.154592322454559 0.921145223675079 
-    1500 29.546330376004335 -5114.668826347825416 -5128.084409002818575 13.415582654993598 -74.963890297330153 -5091.654024951798419 -36.069809925847942 -0.360574125172292 76.370466571708903 20.907013833419317 20.651442491308259 3.293862923334080 -0.003684279514781 -0.021973106016828 -0.099988778036418 -0.248033829396227 -0.199699131014121 -0.258387239343700 
-    1600 31.488737882988062 -5114.666251709391872 -5127.562174336998396 12.895922627606549 -75.515126358996781 -5091.089256410143207 -36.108687743889220 -0.364230182966649 73.412214234048136 20.908015165224487 20.650543155228405 3.287663108975774 0.023430729044891 0.005200324991088 -0.009717194811121 -0.235191585161404 -0.269991548450229 -0.897429956377023 
-    1700 33.437475884973537 -5114.666401481485991 -5128.109647587009022 13.443246105523000 -75.259778198111690 -5091.631906747535140 -36.115630780782681 -0.362110058692168 76.527945428814476 20.911633299502238 20.652349270181077 3.290637266646617 0.047382827731129 0.029653054435233 0.064095231235294 -0.173283785563576 -0.180137454482613 -0.509762631425495 
-    1800 35.409971935965586 -5114.663481964494167 -5127.814887054541941 13.151405090047641 -74.491090566767298 -5091.372276589208923 -36.086170502743748 -0.356439962588869 74.866591234234022 20.917120726708898 20.656239431409823 3.299373500672139 0.060729443526427 0.047545573878948 0.090690867907220 -0.072651236193960 -0.134973617113574 0.468986125541627 
-    1900 37.356665908009745 -5114.662945987237435 -5127.834162435657163 13.171216448420115 -74.094854920007279 -5091.325741364856185 -36.156636080946718 -0.351784989854702 74.979370732615479 20.923308630268796 20.661527403262337 3.303608225301751 0.060762174734361 0.055972467158296 -0.023246002096042 0.050569565992469 -0.015128734732242 1.243933010635258 
-    2000 39.302739028993528 -5114.668135291794897 -5128.163314569014801 13.495179277219526 -74.813484967556576 -5091.728044099317231 -36.076623441395270 -0.358647028302024 76.823583766336554 20.928848778606699 20.666987702380442 3.295904422230930 0.048150302842726 0.051067952242487 -0.103437388502042 0.165551724213027 0.105889446661758 -0.068963933680296 
-    2100 41.409278950013686 -5114.663118726332868 -5127.810783609481405 13.147664883148261 -75.423733750056869 -5091.320000779020120 -36.126797591255354 -0.363985239206806 74.845299475737491 20.932510499915459 20.671409090050787 3.288049731694664 0.023640213728748 0.035847591895651 -0.041708221228928 0.236374651009077 0.198371199119963 -0.640384504567837 
-    2200 43.352226031012833 -5114.661427881294912 -5128.128519195981426 13.467091314686748 -75.510087492183999 -5091.642659975372226 -36.122070373824563 -0.363788846784127 76.663688303065086 20.933433488620544 20.673786734744450 3.287696254845886 -0.005754240319720 0.011414578934733 0.044404032104511 0.262546809367965 0.219065984487172 -0.851263020114746 
-    2300 45.306609580002259 -5114.660099618065942 -5127.607906333227220 12.947806715160898 -74.770874550681498 -5091.154513700459574 -36.095533316014929 -0.357859316752835 73.707573151813676 20.931341273617239 20.673660258466430 3.296475924546905 -0.034553825617794 -0.014035747362422 0.113825759462292 0.197270397152332 0.223450687359393 0.069976704072274 
-    2400 47.303262487985194 -5114.668768738928520 -5128.355223068471787 13.686454329542824 -74.013897951412616 -5091.837592376208704 -36.165551487079576 -0.352079205183842 77.912449256947284 20.926896678987713 20.671015493600247 3.304109684150303 -0.053237284586237 -0.037660077180812 0.009973986156241 0.130092623577203 0.167663132198528 1.469834922808460 
-    2500 49.277594492014032 -5114.664286542179980 -5127.861892342494684 13.197605800314397 -74.588877136418034 -5091.417432775168891 -36.088573628234343 -0.355885939091433 75.129596568385736 20.921128974874328 20.666560149729882 3.298840439060953 -0.059908674901830 -0.050406246263951 -0.096054455870441 0.016936661351570 0.090748444154914 0.249674409069483 
-    2600 51.224775224982295 -5114.660091527380246 -5127.461174934282099 12.801083406901910 -75.283581131096923 -5090.976237590351047 -36.122570271187556 -0.362367072742687 72.872325977177340 20.915300162283348 20.661265977071579 3.290124904685025 -0.054834035191090 -0.052813184903270 -0.066985893337725 -0.089365756949997 -0.050327452309479 -0.518455143155987 
-    2700 53.193481852009427 -5114.665312030138011 -5127.693300103182082 13.027988073044064 -75.545288404378383 -5091.224484100459449 -36.103298636573356 -0.365517366149042 74.164019052775814 20.910559313859785 20.656386503435659 3.286746474519905 -0.038071877287721 -0.042990296256945 0.007397278011559 -0.190466238769834 -0.135299330311013 -0.886494848254334 
-    2800 55.205102694977541 -5114.666990460656052 -5127.749822420470082 13.082831959813863 -75.038716513756086 -5091.305376850341418 -36.084521396520252 -0.359924173608708 74.476227126694724 20.907897814453076 20.652971197853294 3.293528936352598 -0.015027179383876 -0.024727013769926 0.122252893408944 -0.228904856162497 -0.170796217200362 -0.374856809932952 
-    2900 57.304270413005725 -5114.663282758198875 -5127.846875487597572 13.183592729398478 -74.133965455054465 -5091.376502070905190 -36.117739605205358 -0.352633811486478 75.049824799132551 20.907846907073758 20.651576989952538 3.303309922633320 0.013202999648609 -0.002320854355168 0.047770725275095 -0.222964088645100 -0.221697839935973 1.072444648700150 
-    3000 59.509982236020733 -5114.661860547036667 -5128.001794427762434 13.339933880726051 -74.183956902280585 -5091.578891269107771 -36.068851056583568 -0.354052102071242 75.939823167321236 20.910457957429760 20.652585308014480 3.302939194045266 0.038703545428368 0.021401709710650 -0.052052231481544 -0.183755010962093 -0.190606565253946 0.829667042895495 
-    3100 61.456017242977396 -5114.662713084006100 -5127.786964757726309 13.124251673720631 -74.949444430559836 -5091.318562369789106 -36.109481163090322 -0.358921224847793 74.712015832834084 20.915210729172468 20.655728127371194 3.294698943285087 0.054497860267286 0.039773106207039 -0.096094717315238 -0.074228160706203 -0.116516868054517 -0.142488554328876 
-    3200 63.394306352012791 -5114.658913771803782 -5127.442368921165325 12.783455149361671 -75.453497532116984 -5090.989821649961414 -36.087707927857487 -0.364839343346606 72.771974148425940 20.920920759494336 20.660291386537523 3.288000531165640 0.058164961824719 0.050052459693171 -0.029481855322623 0.005340257496974 -0.037337435457481 -0.845075656234279 
-    3300 65.466043822991196 -5114.662541315978160 -5127.703732450220741 13.041191134242272 -75.284307656896260 -5091.274416326554274 -36.066155430197526 -0.363160693469417 74.239179705116669 20.926415069412364 20.665334186237367 3.290342272251101 0.049246812692569 0.049242832707811 0.073605170597352 0.128139166531551 0.037712252589849 -0.723416827617248 
-    3400 67.424555270990822 -5114.663899476490769 -5127.813982563775426 13.150083087285058 -74.486843733474359 -5091.325367642983110 -36.133963146569961 -0.354651774221939 74.859065510574894 20.930459573603063 20.669740838611464 3.299650886475529 0.030788851726957 0.036381186538616 0.088215302434303 0.175232845937615 0.163669278835775 0.571117427339157 
-    3500 69.379824911011383 -5114.664075105367374 -5128.460569930248312 13.796494824880558 -74.150722017048352 -5092.011174671039043 -36.095327493306300 -0.354067765902758 78.538873333101478 20.932329838261111 20.672442217342986 3.303026744038532 0.005624276720851 0.017067154587649 -0.024874102951118 0.233179895646403 0.199916707565629 1.017360376038247 
-    3600 71.516183077008463 -5114.664914937028698 -5128.038145701454596 13.373230764425776 -74.677835957647858 -5091.578707991000556 -36.101988911260513 -0.357448799193448 76.129371292730866 20.931615595898471 20.672978794488959 3.297207624196470 -0.019468750728128 -0.007089166245365 -0.082006681882669 0.195409565326937 0.227685686964018 0.249734008401103 
-    3700 73.618486327992287 -5114.665551034023338 -5127.985856523503571 13.320305489480539 -75.384061346720529 -5091.489762445926317 -36.133502610913403 -0.362591466664615 75.828085240164285 20.928560653936753 20.671034901926184 3.289317136212448 -0.040987813737769 -0.030027881037965 -0.061015334745428 0.162775268524090 0.172466366853264 -0.661650269385878 
-    3800 75.782743964984547 -5114.663453403975836 -5127.494358268289943 12.830904864313670 -75.469547637885299 -5091.079563166989828 -36.049599083156167 -0.365196018143457 73.042089652371629 20.923706893423269 20.667269176804034 3.288013122924311 -0.054929880649506 -0.043696766075728 0.036845005701784 0.080134538177374 0.097199025193231 -1.020048855923501 
-    3900 77.986068815982435 -5114.665845151488611 -5128.102572108072309 13.436726956583815 -74.769933676321969 -5091.612571838475560 -36.131752178876340 -0.358248090719111 76.490834074135392 20.917977496276396 20.662532089841324 3.295864723104021 -0.056782358553915 -0.049479673256845 0.093377527850099 -0.081701690793873 0.003383166209404 0.239468638716789 
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-    4300 86.365879261982627 -5114.661249343918826 -5127.522009443540810 12.860760099621970 -75.553998007114785 -5091.097776752040772 -36.059088458026963 -0.365144233471723 73.212045613938045 20.909220335350703 20.652479898934413 3.287408273056782 0.027172580651817 0.015999429482696 -0.005552548111773 -0.196532435757619 -0.186153884267892 -1.162379304177834 
-    4400 88.574955785996281 -5114.660912128239943 -5127.596011528870804 12.935099400630776 -75.064607414516900 -5091.172679629871709 -36.062035542736268 -0.361296356263301 73.635234620980086 20.912976609323049 20.655045443832904 3.292635289379709 0.046588112808601 0.034711472981366 0.091314450712974 -0.132397546857966 -0.135281150169670 -0.442080209786268 
-    4500 90.634109042992350 -5114.665676304230146 -5127.905928375356780 13.240252071126543 -74.403397537072749 -5091.429819195702294 -36.121171512880345 -0.354937666774155 75.372367656546757 20.918250765463313 20.659192931911637 3.300286465416078 0.056722579339503 0.046341165204762 0.040437604533389 -0.020668210129838 -0.048785900702869 0.689624529238242 
-    4600 92.637734456977341 -5114.659206512987112 -5127.312976440332022 12.653769927344682 -74.471721276980674 -5090.930447539234592 -36.026109437425305 -0.356419463673335 72.033719152903501 20.923830761608770 20.663998591403050 3.300223536156367 0.053742329331536 0.048230377815486 -0.026686644777779 0.052979919140272 0.031396407672799 0.238019960698714 
-    4700 94.753674236999359 -5114.666788095184529 -5128.432633328597149 13.765845233412815 -74.778335227210334 -5091.881575487948794 -36.193233713467635 -0.357824127180984 78.364395365142897 20.928701511840480 20.668463307068063 3.295334903921735 0.041477879880343 0.038845666172938 -0.077132234452073 0.173214627209111 0.135023875964591 0.501082868330708 
-    4800 96.822189531987533 -5114.662473708410289 -5127.970102234876322 13.307628526466150 -75.448388222772621 -5091.515502585668401 -36.090762791608839 -0.363836857598885 75.755919490452271 20.931797865346606 20.671496099493496 3.288396882081481 0.019237299954708 0.021012707522185 -0.035533441365496 0.223406895602056 0.179159342554198 -0.887305594296082 
-    4900 98.859642835974228 -5114.665400910979770 -5127.823559429813031 13.158158518833512 -75.304230977612946 -5091.416787112761085 -36.043933281862508 -0.362839035189700 74.905036266447638 20.932365850145128 20.672509923863558 3.290463116190419 -0.008141976778772 -0.000315683216080 0.075699847373162 0.246207569936752 0.187265084840063 -0.865381687262330 
-    5000 100.958068904001266 -5114.664100853849959 -5127.997851884339980 13.333751030490003 -74.456243089018301 -5091.472757008626104 -36.169974417586360 -0.355120458127619 75.904626249720778 20.930225434252399 20.671313779457137 3.299261260155885 -0.033075636455665 -0.023129392864491 0.060797188273338 0.190130971931427 0.174683566608427 0.850463045543238 
-    5100 103.022973680985160 -5114.667229283335473 -5127.469118608002645 12.801889324666909 -74.339455241396436 -5091.102532720920863 -36.010863046786135 -0.355722840295801 72.876913799958828 20.925893540138972 20.668106793489784 3.301511341524834 -0.052259905221976 -0.038891246977124 -0.000584337917572 0.104627478856816 0.090228363767793 0.376592913228002 
-    5200 105.073596585018095 -5114.659207952521683 -5127.818621204115516 13.159413251593703 -74.602279343034326 -5091.309116080835338 -36.153244704804756 -0.356260418475794 74.912179044274211 20.920292016432541 20.663757382287898 3.297911297800130 -0.057966838048045 -0.046825697947258 -0.071421375082870 0.004665520085777 0.032615112212059 0.528065022537707 
-    5300 107.198358634021133 -5114.668031899326706 -5128.403329554706033 13.735297655379242 -75.346429736365351 -5091.937739033154685 -36.102444788768807 -0.363145732782257 78.190498125861126 20.914717673073380 20.659117313549281 3.289571271494713 -0.051541157611843 -0.044207038049889 -0.069162471126795 -0.108851945866473 -0.067160705709334 -0.689810250654018 
-    5400 109.228326682990883 -5114.662170014841649 -5127.948406810191955 13.286236795350703 -75.387703988748967 -5091.511635294188636 -36.072811044093676 -0.363960471909080 75.634143453728655 20.910411942384567 20.655298362555151 3.289295104128101 -0.033403065218140 -0.030218242379603 0.067381238686275 -0.194605725147114 -0.146523989581552 -0.856573949857289 
-    5500 111.207744218001608 -5114.657355472014387 -5127.461854315488381 12.804498843474214 -74.711679091165820 -5091.018049204480121 -36.086231200355513 -0.357573910651504 72.891768925820045 20.908214180976621 20.653143063275103 3.297054984366552 -0.009720327360560 -0.012170973713609 0.067346904082428 -0.225449677836972 -0.168863124124105 0.145719517574028 
-    5600 113.187812371004838 -5114.666727048758730 -5128.011433527959525 13.344706479200759 -74.224881325927825 -5091.583528801468674 -36.074088213836248 -0.353816512654709 75.966991988955485 20.908538368947099 20.652923077123702 3.302463512942324 0.015889327386213 0.008440716029828 0.023790547467277 -0.230056403882847 -0.180152068261118 0.767501154303459 
-    5700 115.223549607966561 -5114.666810586315478 -5127.964890948066568 13.298080361751023 -74.457764814311759 -5091.517768669598809 -36.091855981508672 -0.355266296957991 75.701564952677018 20.911288074293296 20.654702128224290 3.299862863363933 0.037625724707818 0.026938507565963 -0.067405999343081 -0.163243605037265 -0.149806301663291 0.514572194821791 
-    5800 117.169673689000774 -5114.662858436766328 -5127.861332436821613 13.198474000055079 -75.219469548326174 -5091.423252163041980 -36.075809622507293 -0.362270651271583 75.134538941816572 20.915884305415620 20.658153568361477 3.291251160711568 0.052774362701590 0.040324635682486 -0.078126729937349 -0.083456525059511 -0.074108075254491 -0.622179159307241 
-    5900 119.133437525015324 -5114.661434639346226 -5128.122040563365772 13.460605924019552 -75.433729145408122 -5091.651122558894713 -36.106888573696963 -0.364029430773623 76.626769123042052 20.921546935270850 20.662539917189239 3.288396063998289 0.057935659991731 0.045447202429849 0.025173290961737 0.038569568393737 0.013515063513606 -0.778300066914939 
-    6000 121.139721712970641 -5114.664442256076654 -5127.733452694777952 13.069010438700969 -74.927098036313936 -5091.288667310954224 -36.085439044409689 -0.359346339414585 74.397545786996858 20.926862724858438 20.666823150831057 3.294769717951894 0.047094941458034 0.039116956605295 0.089996142121431 0.092168058082724 0.082016790004862 -0.193287408380923 
-    6100 123.108605619985610 -5114.662728887936282 -5127.775487453238384 13.112758565301895 -74.291302895997418 -5091.332944580795811 -36.088206077974540 -0.354336794467497 74.646589375044613 20.930791258191853 20.670027254798512 3.301758612534544 0.029351790635962 0.024164568819317 0.029990483721432 0.204075556248549 0.154934332598793 0.739997173053649 
-    6200 125.163303233974148 -5114.659594421228576 -5127.537208941286735 12.877614520058508 -74.292769878539971 -5091.081010129689275 -36.101795123934032 -0.354403687663752 73.307992244482264 20.932427407650824 20.671559044694661 3.301470974921893 0.002956379340524 0.006095195577238 -0.036871542633484 0.229836098959731 0.187591272415239 0.811621207942855 
-    6300 127.140096729970537 -5114.659371631707472 -5127.485202743766422 12.825831112058735 -74.996342062585185 -5091.031062152058439 -36.094428572605565 -0.359712019102327 73.013206462059031 20.931442557444445 20.671098897403148 3.293761498788298 -0.022174387750966 -0.015128250994893 -0.091858665641609 0.217515673765781 0.173710556386123 -0.256816289625468 
-    6400 129.109909966005944 -5114.663273725152976 -5127.995005063115968 13.331731337962824 -75.498028432576660 -5091.542932731670589 -36.087805996089742 -0.364266335356113 75.893128809423274 20.928128649302025 20.668690421205312 3.287971777340986 -0.042448990250264 -0.032225197774114 -0.005198026954041 0.150677445139299 0.148139132018669 -0.953117141472668 
-    6500 131.115715054969769 -5114.661111821650593 -5128.066500464955425 13.405388643304695 -75.139382250448818 -5091.604836721116044 -36.099934705756702 -0.361729038082933 76.312435441124407 20.923125663642576 20.664890476868898 3.292036274624536 -0.055729679640580 -0.041501253326041 0.079931583815572 0.049261900986849 0.033945669260178 -0.381135271389227 
-    6600 133.125299616018310 -5114.664455218325202 -5127.806469149888471 13.142013931563254 -74.397953581452271 -5091.349402205907609 -36.102022396577411 -0.355044547403465 74.813130480903666 20.917452551035357 20.660706957683157 3.300509212515522 -0.055951861138117 -0.040865963063575 0.068544161938680 -0.045061688765106 -0.030305251680137 0.631774590865013 
-    6700 135.240329672989901 -5114.663593413010858 -5128.029822111544490 13.366228698533655 -74.233861727117400 -5091.582623872727709 -36.093357412084664 -0.353840826733379 76.089510851861533 20.912296412057923 20.656964226685989 3.302326919079546 -0.045381861233014 -0.032597146130290 -0.036960297468029 -0.144848922557989 -0.100110229900310 0.812063508297560 
-    6800 137.350231566000730 -5114.664169444938125 -5127.926801345067361 13.262631900129271 -74.738858950484158 -5091.461860366535802 -36.107076955779647 -0.357864022751586 75.499768607119506 20.908686232924033 20.654373984968860 3.296348971953746 -0.024837849475155 -0.017865527933458 -0.072761221775919 -0.223253710999150 -0.148501883610453 0.195951542343088 
-    6900 139.565444496984128 -5114.663600792978286 -5128.230029531778200 13.566428738799937 -75.434722286257340 -5091.774140939259269 -36.092173119678712 -0.363715472839197 77.229183341383987 20.907541339263830 20.653543123738721 3.288895754549953 0.002638229677810 0.000957827931027 -0.052045548816876 -0.262309667051384 -0.148398578992691 -0.868386733625441 
-    7000 141.527214588015340 -5114.667364746551357 -5128.081623862331071 13.414259115779917 -75.280834075042748 -5091.644810526782749 -36.073777993204331 -0.363035342345241 76.362932101542810 20.909224803265005 20.654639085680270 3.290368744245084 0.030008841838776 0.021124754806132 0.076976816220729 -0.224449590254040 -0.158291460753009 -0.685918798177964 
-    7100 143.549167856981512 -5114.661195618112288 -5128.130308455482009 13.469112837369865 -74.501396291495780 -5091.647317318982459 -36.126935259671654 -0.356055876829017 76.675196161833895 20.913345665954569 20.657514139898133 3.298911330649466 0.050590268507910 0.035163607004035 0.070021588034087 -0.114741724431349 -0.088673011392236 0.597663655803601 
-    7200 145.824236369982827 -5114.663801350944595 -5127.350567035293352 12.686765684349037 -74.264811405519026 -5090.965273436646385 -36.031160068236915 -0.354133530409286 72.221553063819883 20.918933349785227 20.661401228702406 3.302431412696220 0.058484013855946 0.040339632081067 0.002365489682824 0.007426212935201 0.003099291547449 0.502443704047546 
-    7300 147.814523149980232 -5114.660052466732850 -5127.788479107892272 13.128426641159489 -74.472844126674431 -5091.288583076706345 -36.144164854236195 -0.355731176949829 74.735782539016512 20.924672411874006 20.665383686795671 3.299089444328806 0.054973959627352 0.038186027025497 -0.076850721815120 0.078894754669826 0.049496040518582 0.739800286005269 
-    7400 149.934785454999655 -5114.664562318010212 -5127.787726930725512 13.123164612715099 -75.314974998092623 -5091.370928565074792 -36.053792957012789 -0.363005408638057 74.705827554745881 20.929454127676664 20.668714613412039 3.290154015845754 0.038974573013570 0.026859994277230 -0.071047697078505 0.178923409376211 0.142260319963463 -0.844037811811769 
-    7500 151.894583953020629 -5114.659273221614058 -5128.032062317835880 13.372789096222276 -75.414730689695148 -5091.549017931006347 -36.119941208023363 -0.363103178805530 76.126857022002667 20.932276063281893 20.670550974927014 3.288861067611061 0.015847323356709 0.009401249181654 0.046323992451582 0.242157939839049 0.177101131544467 -0.722004178488870 
-    7600 154.205991032009479 -5114.667292451216781 -5128.083181946364675 13.415889495148269 -74.756077415921112 -5091.632077211026626 -36.092701193021504 -0.358403542315860 76.372213311032695 20.932546054918600 20.670518945554804 3.296203165180034 -0.010627817986661 -0.009524246265290 0.084927262327312 0.230759920423442 0.148229448411975 0.138761714915557 
-    7700 156.483011943986639 -5114.665857711202989 -5127.757058728734592 13.091201017531281 -74.263612316146350 -5091.351404456811906 -36.051691831383451 -0.353962440538811 74.523869399049318 20.930232299334396 20.668694492361052 3.302594104668085 -0.035234854661415 -0.026447521978741 0.037319697108368 0.199555830170116 0.113867243312336 0.589022720106054 
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-    7900 160.368128011992667 -5114.664623845933420 -5127.607457405612877 12.942833559679745 -75.105327123281668 -5091.202370519376927 -36.043020561380324 -0.362066324856766 73.679262625599748 20.919989445826449 20.661801652211665 3.292650530556585 -0.059506659224019 -0.038337271993862 -0.101315459921114 -0.004422431789579 -0.021247726912402 -0.551860560197026 
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-    8600 174.613460874999873 -5114.659363816484984 -5127.870217767385839 13.210853950900733 -75.274178855249545 -5091.348505613963425 -36.159709284190001 -0.362002869232505 75.205013899672053 20.922182495859662 20.664424807547057 3.290184030474049 0.058389176642211 0.034796596169519 0.062933552221823 0.025205258845802 0.037670292498115 -0.379157526065371 
-    8700 176.586612535000313 -5114.665228966808172 -5127.935518868338477 13.270289901529880 -74.672588720408186 -5091.513660620890732 -36.064343820420149 -0.357514427028087 75.543363071483199 20.927638588429229 20.667523698566722 3.297621398201754 0.049213763605943 0.025966725768785 0.079374601296622 0.129688109982561 0.099506852802007 0.090135069067908 
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-    8900 180.624325282988138 -5114.665487222357115 -5127.909163004222137 13.243675781864642 -74.510276573443292 -5091.450401010387395 -36.103151826102916 -0.355610167731160 75.391857707273545 20.933044441693539 20.669736950614507 3.299470187709602 0.000624419315112 -0.004845412277893 -0.085042552801528 0.269561085279787 0.140770104074680 0.475546750105431 
-    9000 182.603141035011504 -5114.666803528281889 -5127.755753954605098 13.088950426323008 -75.227949216659468 -5091.317152928944779 -36.076117378092064 -0.362483647568133 74.511057529072573 20.931706779011275 20.668434238856520 3.290752125722165 -0.026595876438830 -0.021356081815256 -0.069880358264345 0.221055064219862 0.124317814146557 -0.618551643449197 
-    9100 184.609568398969714 -5114.665415723197839 -5128.254039494409881 13.588623771212028 -75.549900150021728 -5091.833077751077326 -36.055540019352037 -0.365421723980153 77.355532306201752 20.927913944840761 20.665694355704936 3.287394532801205 -0.048630190476618 -0.032713167319786 0.011589730600432 0.182073069357604 0.064779016731025 -1.136276019056602 
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-    9300 188.639047077973373 -5114.662486142141461 -5127.977441183753399 13.314955041611702 -74.192232164638625 -5091.580244672193658 -36.042959211934331 -0.354237299624883 75.797626913409573 20.916305828865653 20.658922766021828 3.302925893919934 -0.058277815789774 -0.030021521804940 0.050961379972825 -0.076842147957603 -0.084405663160882 0.702595952724034 
-    9400 190.703652694995981 -5114.661207258627655 -5127.522790125327447 12.861582866699738 -74.120931026729892 -5091.053278142035197 -36.116610248351847 -0.352901734940216 73.216729354273809 20.911020142045860 20.656472946284353 3.303270285420219 -0.045869654592715 -0.018127509171707 -0.054743848587373 -0.154591813824975 -0.134268727449878 1.099232460180219 
-    9500 193.070504552975763 -5114.671186119807317 -5128.431106488337718 13.759920368530787 -75.045717490999692 -5091.983245927975076 -36.087986598104919 -0.359873962257780 78.330667072674999 20.907556292745817 20.655327977354343 3.293547080699665 -0.022089141571831 -0.004418829652771 -0.112250493802117 -0.219009673869006 -0.135981571317075 -0.379143660692626 
-    9600 195.252510225982405 -5114.664284404488171 -5128.017009122249874 13.352724717761820 -75.544383486124630 -5091.580898915308353 -36.070962158636121 -0.365148048305869 76.012637164102870 20.906832785468271 20.655628852409684 3.287337719050693 0.008104938297078 0.009544337347183 -0.000519078616487 -0.262214050377350 -0.115645185592362 -1.075952756894858 
-    9700 197.480031861981843 -5114.664038710266141 -5127.692773672441035 13.028734962175175 -75.180816902799847 -5091.249882436120970 -36.080721569396893 -0.362169666924116 74.168270845104715 20.909052020185428 20.657331664242715 3.291507411074430 0.035553366968182 0.024564615698317 0.071444134044761 -0.222630476467101 -0.112113882550294 -0.519173656874597 
-    9800 199.695904278021771 -5114.664312837699981 -5127.835968847741242 13.171656010041264 -74.398171426502984 -5091.389440803688558 -36.091968249707037 -0.354559794345843 74.981873011268405 20.913739274041337 20.660293343021056 3.300918358529649 0.056802499696904 0.033402451829504 0.099956575541129 -0.142833515377258 -0.038898546936827 0.551639867997495 
-    9900 201.714854974998161 -5114.662043808020826 -5127.672720277647386 13.010676469626668 -74.030798215921379 -5091.216761704143209 -36.103797552357136 -0.352161021146902 74.065469831016983 20.919893857591536 20.663673079975375 3.304573631575953 0.063841911653931 0.032715635584246 -0.035439509260640 -0.018586642731064 0.037899699653686 1.156836612406302 
-   10000 203.791678249021061 -5114.663239157028329 -5127.775535041001604 13.112295883973248 -74.781435173272996 -5091.348288045219306 -36.068946833770113 -0.358300162011702 74.643955483558017 20.926101581814414 20.666681363701141 3.296305287853344 0.057039338494897 0.026671507535794 -0.104631202385259 0.134422696602108 0.084949136617628 -0.041970501494769 
-   10100 205.817252717970405 -5114.670000808216173 -5127.999861073316424 13.329860265100194 -75.499209172969657 -5091.528578507412021 -36.107113079602513 -0.364169486302263 75.882477411628372 20.930943529172954 20.668677574786123 3.287764956070651 0.038665201589508 0.012843002579723 -0.049256198606977 0.198935682661222 0.129728067810789 -0.904915737281749 
-   10200 207.782419332012068 -5114.653710483275063 -5127.265033286363177 12.611322803088528 -75.467842331212253 -5090.847270779475366 -36.052710598859512 -0.365051908028164 71.792081740095114 20.933443031779092 20.669233660800938 3.288061167677971 0.010365782833067 -0.002743392650115 0.055773890242177 0.255222511843589 0.182338187244928 -1.015733514224226 
-   10300 210.062657215981744 -5114.668130846707754 -5127.988907037899480 13.320776191191676 -74.634007843670844 -5091.556859988248107 -36.074866490562826 -0.357180559088616 75.830764789030709 20.933031590673348 20.668101994717869 3.298077974732136 -0.018515948687913 -0.018060163186596 0.120023772821477 0.243865036152442 0.098795110824830 0.183613877650071 
-   10400 212.068701691983733 -5114.660941263607128 -5127.714825858253789 13.053884594646563 -73.954791791897179 -5091.231426435204412 -36.132856172345328 -0.350543250703709 74.311439369002713 20.929880910171200 20.665803761683382 3.305588505854514 -0.043293433193501 -0.026479536422803 0.009752825599061 0.167145152733179 0.033226586751605 1.349480929135466 
-   10500 214.065307135984767 -5114.665876991018195 -5127.941168456901323 13.275291465882981 -74.437710910508997 -5091.537065529054416 -36.047327555962653 -0.356775371884051 75.571835319991365 20.924707513076232 20.662943340751820 3.300027852202031 -0.059364565292409 -0.030781091288193 -0.100307112644203 0.115762073215362 0.029380814478195 0.404545360796840 
-   10600 216.090178748010658 -5114.662977480853442 -5127.660783539468866 12.997806058615161 -75.290812297369172 -5091.133311369016155 -36.165836185987160 -0.361635984465160 73.992202845959682 20.918441049158687 20.659943966097014 3.289805518023824 -0.063130931022659 -0.027626717940556 -0.088446727861773 -0.009129359577700 -0.058767823972170 -0.387042679609502 
-   10700 218.097292795020621 -5114.670030871759991 -5128.184583473338535 13.514552601578396 -75.766356508326950 -5091.762223804072164 -36.055544212207600 -0.366815457058126 76.933869682228647 20.912501831184120 20.657457671810995 3.285067189042918 -0.052692503316030 -0.021108369259455 0.015167598320290 -0.155682728309126 -0.100141617130427 -1.469356605665235 
-   10800 220.114426194981206 -5114.663585118172705 -5128.048140302590582 13.384555184418097 -74.931589442956707 -5091.573664056089001 -36.114552368417222 -0.359923878084226 76.193837463206563 20.908273490353935 20.656035053398099 3.293912472983097 -0.030826405893113 -0.006923497541963 0.128603620469399 -0.228981699959012 -0.126888070540289 -0.026695594778335 
-   10900 222.213257040013559 -5114.667217870534841 -5127.888347345977309 13.221129475442863 -74.083433511188161 -5091.409793733987499 -36.126653098763413 -0.351900513227646 75.263509055919286 20.906658997486073 20.656079250641032 3.304056980828153 -0.001604061898692 0.008176535595169 0.050322305409289 -0.240830346612736 -0.136543888339599 1.160259596951377 
-   11000 224.224410375987645 -5114.668201973015130 -5127.885629917574988 13.217427944559567 -74.222660167321663 -5091.471329684127340 -36.060308555405996 -0.353991678041291 75.242437467166368 20.907987806672967 20.657533680276075 3.302868878834147 0.027786473101759 0.020756056699002 -0.062558706472466 -0.232879170789862 -0.109717368224320 0.716409031288804 
-   11100 226.422241104010027 -5114.663170508025360 -5127.799125852029647 13.135955344004490 -74.927588535076865 -5091.294907711760970 -36.144771694138633 -0.359446446130559 74.778640949548418 20.911954337557482 20.660071017488164 3.293961036660444 0.050126144990543 0.028387668003824 -0.101340465234716 -0.156191009185697 -0.041808210160366 0.096090688950787 
-   11200 228.506809837010223 -5114.661746515551386 -5128.138954707636003 13.477208192084627 -75.709156427686082 -5091.678603294916684 -36.094588130804738 -0.365763281913773 76.721280333690544 20.917693172420030 20.663031943377682 3.285726196619942 0.063012868532484 0.029561157049243 -0.033980609713881 -0.063652976893589 0.033669130488308 -1.256624594789283 
-   11300 230.475960201001726 -5114.666281783573140 -5128.001351430850264 13.335069647277066 -75.274631212776171 -5091.526736697503111 -36.111992365895333 -0.362622367452550 75.912132698143267 20.924026071515424 20.665725595211754 3.290238815642390 0.060368531055182 0.023501732370826 0.107828199172957 0.070812978011661 0.091858990892878 -0.535503564027140 
-   11400 232.529532465967350 -5114.661942646444004 -5127.816804050296014 13.154861403852420 -74.316056964395500 -5091.345260192700152 -36.116886624598273 -0.354657232996509 74.886266883415828 20.929452069618037 20.667597177074608 3.301038397617016 0.045918497932255 0.014048679698845 0.077450369957119 0.169813001030012 0.098825827667508 0.825984049571944 
-   11500 234.497609135985840 -5114.662815499924363 -5127.791705884445037 13.128890384520918 -74.138722286640530 -5091.444854293227763 -35.993407362841765 -0.353444228375381 74.738422476303825 20.932938244845694 20.668364409287609 3.304208943166446 0.023033023661311 0.001123507496456 -0.007511200123707 0.237847627688330 0.116026125263693 0.527020764575175 
-   11600 236.451088399975561 -5114.660780027507826 -5127.811828560827053 13.151048533319580 -74.488958322762130 -5091.298837449588973 -36.157123100110908 -0.355868011127335 74.864561474932344 20.933699280861909 20.667853795849801 3.298726477354734 -0.007524918775663 -0.011672230055042 -0.111210318156030 0.248171457008333 0.114872623839278 0.753063333214891 
-   11700 238.547904327977449 -5114.661890061330269 -5127.488890658432865 12.827000597102334 -75.562932921888176 -5091.111392625867666 -36.011679110671452 -0.365818921893488 73.019863952883327 20.931491120686179 20.666202056252178 3.287671747780366 -0.036162086110293 -0.020695764794349 -0.066405431111494 0.226259803470980 0.071549039732104 -1.341471961362002 
-   11800 240.583210881974082 -5114.671043030804867 -5128.487127975979092 13.816084945174216 -75.423182279821646 -5091.968791108091864 -36.155375086119165 -0.362961781768441 78.650393396411275 20.926700714410515 20.663770758142828 3.288770887715487 -0.057799207172967 -0.026763210292556 0.074255300723894 0.123558154586104 0.029205599004426 -0.608116515301688 
-   11900 242.579676060006022 -5114.666595789514759 -5127.627142017987353 12.960546228472667 -74.620095343768725 -5091.212828946951049 -36.056340274250942 -0.357972796784657 73.780094979641575 20.920419937092188 20.661007407536246 3.297834144066199 -0.065952827999654 -0.027117261195138 0.092924637900179 0.005775279268388 -0.043333778873581 0.174864665011019 
-   12000 244.554508792993147 -5114.668199284924412 -5127.928596941728756 13.260397656804409 -74.050686284042285 -5091.517352293692056 -36.058564472502013 -0.352680175535285 75.487049800225876 20.914049968824401 20.658624874892602 3.304817497078936 -0.058534606457701 -0.019663212309618 0.030841452142709 -0.117933609959851 -0.071983172154844 0.937240983032686 
-   12100 246.586212306981906 -5114.665900689201408 -5128.071145377240100 13.405244688038898 -74.333694503840945 -5091.581887674339669 -36.135563983635819 -0.353693719264361 76.311615951498268 20.909012763292047 20.657184099832726 3.301245722128912 -0.040545185181111 -0.008299910667777 -0.102810610596713 -0.196934798341422 -0.113914711573433 0.816101955004952 
-   12200 248.620701150968671 -5114.664390481006194 -5127.704527516747476 13.040137035741362 -75.300624530838505 -5091.252557269936915 -36.088298816382817 -0.363671430427135 74.233179071644585 20.906263429258289 20.657023985541834 3.289715656575539 -0.012660603726359 0.004695217564054 -0.096847241972121 -0.262422893618854 -0.119316679711397 -0.634319993401957 
-   12300 250.694549694017041 -5114.666291391668892 -5128.313843681321487 13.647552289652264 -75.676280550021602 -5091.865731930740367 -36.082299114504799 -0.365812636076003 77.690992834707771 20.906574295422516 20.658065419774914 3.285849313369584 0.018297783359073 0.015843392860320 0.037413718497050 -0.246149562434848 -0.110457387995892 -1.242479043843485 
-   12400 252.702934953966178 -5114.663197408682208 -5127.890647350391191 13.227449941709079 -74.951140373141868 -5091.421604394632595 -36.109763060183326 -0.359279895575672 75.299489375978069 20.909846704036898 20.660096452006407 3.294207672299531 0.045686124068063 0.023722177198857 0.108427757964089 -0.175162941830414 -0.046873803642039 -0.145422184372183 
-   12500 254.779861574003007 -5114.666938989556002 -5128.043438823417091 13.376499833860672 -74.088422133425723 -5091.661882324058752 -36.027609306295794 -0.353947193062258 76.147981021761566 20.915322126685968 20.662597128900408 3.304248955994423 0.062161734078117 0.025717354887151 0.072263204141882 -0.087278553087819 -0.008371705699248 0.815014637248940 
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-   17200 349.061939559003804 -5114.669562627819687 -5127.954411066289140 13.284848438469313 -75.507091743909058 -5091.532786892328659 -36.057461753515028 -0.364162420445970 75.626239998058736 20.923380297081511 20.662516778443035 3.288500316147482 -0.061096391768100 -0.013332744267687 0.146833909849944 0.098577093257598 -0.024665206550503 -1.170520341339654 
-   17300 351.148626787005924 -5114.660234500865045 -5127.647359959799360 12.987125458933990 -74.031373026991659 -5091.162793733430590 -36.132955869252967 -0.351610357114879 73.931401731174475 20.917066997391913 20.661291069091419 3.304630421521833 -0.062280584064552 -0.011165240359401 0.131225061352441 -0.061339906001065 -0.042402428316733 1.265767424869865 
-   17400 353.174809799995273 -5114.667427654843777 -5127.988533592961176 13.321105938117404 -73.664456120760036 -5091.607960665832252 -36.029462491470113 -0.351110435658101 75.832641929011587 20.911394519391244 20.660400672833230 3.308471733635241 -0.049351621520094 -0.006284855320464 -0.055255878338889 -0.169880133797822 -0.045462754049201 1.462119236826425 
-   17500 355.219679754984099 -5114.655842338041111 -5127.365905911441587 12.710063573400070 -74.761826740945637 -5090.860990144841708 -36.148909838142686 -0.356005928456308 72.354180226032696 20.907569400121201 20.660025808431762 3.296944874126993 -0.025253588364088 -0.001012895055943 -0.154006003670141 -0.261212777339650 -0.039939787097040 0.211733772855119 
-   17600 357.364239229005761 -5114.669516715784084 -5128.236766157197053 13.567249441413058 -75.868689237319501 -5091.789340997370346 -36.079837126089572 -0.367588033737413 77.233855329406609 20.906521226532430 20.660198576735073 3.283656717616020 0.004527152541312 0.004532696672882 -0.077350863250837 -0.272741629473288 -0.042261575435036 -1.511844774922548 
-   17700 359.351590919017326 -5114.660407306425441 -5127.902108523396237 13.241701216970766 -75.638150050937142 -5091.443070840236032 -36.091675228718316 -0.367362454441304 75.380617163638618 20.908481072492219 20.660912868740240 3.285112314918654 0.033982328792200 0.009177365148567 0.092787379028501 -0.240320958493048 -0.019050238938818 -1.015965932947367 
-   17800 361.325772800017148 -5114.658687793635181 -5127.393623929495334 12.734936135860256 -74.651330361574082 -5090.913275311653706 -36.125043482096231 -0.355305135745662 72.495771482168806 20.913015663093585 20.661978066375628 3.298525061763381 0.054437339217372 0.011705178976775 0.152192776843648 -0.129534722950961 -0.012790648808822 0.266854567731765 
-   17900 363.444227589992806 -5114.666272142415437 -5128.193253012597779 13.526980870182078 -73.708717268069364 -5091.736431500547951 -36.107437114189707 -0.349384397859188 77.004619697069657 20.918975829557137 20.663198564325278 3.308185286177736 0.062888844296225 0.011035936211823 0.016782899130656 -0.023653659243178 0.046542840196213 1.616825417245600 
-   18000 365.521085492975544 -5114.668731523097449 -5128.064655573776690 13.395924050679691 -74.252762142006461 -5091.641982035654109 -36.066782563678302 -0.355890974444285 76.258556651565186 20.925170278937255 20.664156678965135 3.301637242053403 0.058212316135925 0.008039534000317 -0.133866787407252 0.097961439867114 0.047011473963491 0.794141386222355 
-   18100 367.497839598974679 -5114.667446138676496 -5127.772473719559457 13.105027580882789 -75.594348621242005 -5091.281486187850533 -36.127658651786746 -0.363328879921956 74.602579442540787 20.930243171637265 20.664709307537798 3.287416823984332 0.041145190284633 0.003279032805435 -0.114790979490660 0.201108162045049 0.042124701727003 -1.041099150032367 
-   18200 369.458474390965421 -5114.667831614763600 -5128.669643444079156 14.001811829315178 -75.839772216697710 -5092.195805504504278 -36.105963393258776 -0.367874546315993 79.707675004040539 20.933076863078025 20.664796455643380 3.283339177776674 0.015192831289485 -0.001391250364681 0.039501729112803 0.244192323625482 0.026204884415457 -1.328308355903283 
-   18300 371.412492669012863 -5114.666722363591361 -5128.046544884342438 13.379822520750716 -74.960017258714402 -5091.611177108634365 -36.074560097308989 -0.360807678398393 76.166895977197356 20.933119328613600 20.664499914557290 3.293711628901709 -0.014811955914480 -0.005336784877202 0.142737867900954 0.280189809304982 0.049876917530809 -0.208769667774437 
-   18400 373.391796001000330 -5114.662404377548228 -5127.369523597135412 12.707119219587582 -73.952485427549959 -5090.973888247920513 -36.045230322262235 -0.350405026952563 72.337418995440288 20.930272894303130 20.663753668076897 3.306830153414757 -0.040686391452406 -0.008934224583630 0.099913360418804 0.218291619025257 0.011254448829952 0.933413250358786 
-   18500 375.376683629991021 -5114.665654355547304 -5128.294014334988788 13.628359979441912 -73.800340158127852 -5091.801759786554612 -36.141710002853237 -0.350544545581196 77.581737372381056 20.925226295979190 20.662856387242805 3.306670871721919 -0.058352146494625 -0.009284420268656 -0.118010645723404 0.103262435873699 0.002686009365507 1.679614204315072 
-   18600 377.332084560999647 -5114.661274689343372 -5127.536019309576659 12.874744620232942 -75.148847336394653 -5091.153713290172163 -36.019397499437019 -0.362908519967993 73.291654855765799 20.919112528639609 20.661903691475008 3.292033919414479 -0.062177654953270 -0.009531363333896 -0.127304550988151 0.001792290868001 -0.022141194977863 -0.689166809158415 
-   18700 379.277532869018614 -5114.665962525255054 -5128.250419625839641 13.584457100584919 -75.904123472866019 -5091.658083602111219 -36.227119412212780 -0.365216611516885 77.331812831019320 20.913245012177125 20.661101059759098 3.283138698414907 -0.052698148319787 -0.006017010080225 -0.042525373585225 -0.124221687256621 -0.047759211764643 -1.066678012010748 
-   18800 381.294597855012398 -5114.667923709061142 -5128.197638254266167 13.529714545204687 -75.559851346740672 -5091.820325203156244 -36.010719371283251 -0.366593679826514 77.020181603123319 20.908924251890792 20.660689705465508 3.287134490631361 -0.031728042373454 -0.002446847952570 0.127861799802922 -0.206137254664069 -0.048762306116106 -1.314080958774624 
-   18900 383.251730720978230 -5114.666300577087895 -5128.050421728941728 13.384121151854071 -74.094824374802243 -5091.526506355184210 -36.171349925216575 -0.352565448541325 76.191366659643691 20.907009106833307 20.660678997486816 3.303281320988718 -0.005623142159201 0.001942379905303 0.143130015751862 -0.253861394822026 -0.030997735769482 1.379574056399491 
-   19000 385.205458407988772 -5114.661595878101252 -5127.446668735508865 12.785072857407624 -73.852570429450978 -5091.055629658955695 -36.041511959789077 -0.349527116764069 72.781183224276262 20.907867272148948 20.661023863530939 3.307860707166156 0.021986414433190 0.004566704984591 -0.040899844986352 -0.228257289678235 -0.030377561599219 1.070599556008526 
-   19100 387.169410193979274 -5114.662174790036261 -5127.710043803919689 13.047869013883592 -74.531611565059080 -5091.286020593059220 -36.066320225648056 -0.357702985211682 74.277194661084863 20.911239672788788 20.661624693379970 3.298540916374361 0.044468368688179 0.007126601344191 -0.133986597941470 -0.168406159503830 -0.010063303922229 0.379649252821583 
-   19200 389.115531724004541 -5114.661853416043414 -5127.612725376475282 12.950871960431613 -75.651281023713508 -5091.143219624329504 -36.103747201825641 -0.365758550319151 73.725022577418315 20.916504162506541 20.662393803936919 3.286061793971061 0.058667444232322 0.008029959538093 -0.085593750270799 -0.050528178250776 -0.000969038658541 -1.085715439860003 
-   19300 391.076138450996950 -5114.669638862291322 -5128.107730530501613 13.438091668210687 -75.822027147027271 -5091.664507983427939 -36.076867142648481 -0.366355404424784 76.498602925206598 20.922484396494884 20.663168643294711 3.284891838561000 0.060180236870506 0.006952327109455 0.073726946130870 0.014963074664461 0.017680975667241 -1.528637420503764 
-   19400 393.082177650998347 -5114.655193792630598 -5127.251238111369275 12.596044318738967 -74.468369798662664 -5090.804286092732582 -36.089938860248317 -0.357013158388560 71.705106391480626 20.927972642340780 20.663819843850401 3.298884760626848 0.047683833198021 0.005896786296523 0.161773728436352 0.131397369155097 0.037009535854738 0.588472121607727 
-   19500 395.028803107968997 -5114.666029841179807 -5127.816509515242615 13.150479674062911 -73.734755189507055 -5091.373997410638367 -36.093332398421474 -0.349179706182011 74.861323147685397 20.931740354168507 20.664244737396967 3.308356115696763 0.025825772562357 0.002562362895295 0.011817947005925 0.220845626574037 0.048068217991357 1.490914918512551 
-   19600 397.093725836020894 -5114.664644757604947 -5127.884620239094147 13.219975481489199 -74.342585621599028 -5091.504085192656021 -36.026146760298445 -0.354388286140264 75.256939750736748 20.932993772516326 20.664356625547686 3.302362567322510 -0.001328335063158 -0.000458869137830 -0.108357376372696 0.256623002921824 0.059300929009534 0.367548565256389 
-   19700 399.058572131965775 -5114.665996976812494 -5128.137356732903754 13.471359756090834 -75.175689473714357 -5091.645723396628455 -36.128654169719226 -0.362979166556425 76.687987125557356 20.931430353062105 20.664067968783527 3.290578292354341 -0.029185665386234 -0.004469241235952 -0.119072242238641 0.214523567877367 0.029517582183256 -0.243670050135101 
-   19800 401.012825590965804 -5114.667160991881246 -5128.015520669321631 13.348359677440802 -75.989002366946551 -5091.667434042763489 -35.979340970807399 -0.368745655750376 75.987788435986218 20.927362893266512 20.663507329995621 3.283288113909213 -0.050223795983402 -0.006438901592014 0.017564182518761 0.118325993610009 -0.004994233370262 -2.146596315544622 
-   19900 402.964937843964435 -5114.667180517120869 -5128.329929028817787 13.662748511696746 -74.943367469557757 -5091.820179760887186 -36.150569783184437 -0.359179484745326 77.777499891278467 20.921784429235455 20.662836410295302 3.294083910623329 -0.059503341220342 -0.007395828237618 0.154257186288637 0.034659737739820 0.008798366478612 0.052313541798283 
-   20000 404.934624481014907 -5114.664762812468325 -5127.725361788983719 13.060598976515463 -73.846794440416488 -5091.307439039122983 -36.065853460988663 -0.352069288872870 74.349662120056877 20.915832703240842 20.662158092343745 3.306472003417686 -0.058173353802783 -0.005732597253281 0.070475380751930 -0.064075608134217 -0.021415308426639 1.349346791929079 
-   20100 406.882923369994387 -5114.665021475308095 -5128.169754299538909 13.504732824230498 -74.018426469773658 -5091.778620458835576 -36.039831174797733 -0.351302665905619 76.877968943738537 20.910629359568361 20.661652588827625 3.305983670602469 -0.043816597631864 -0.004161081503408 -0.068685950430266 -0.178354004790847 -0.025753980579597 0.842915985144121 
-   20200 408.834790974971838 -5114.659809755884453 -5127.763296963482389 13.103487207598068 -74.800541858642163 -5091.228254557281616 -36.177218871773249 -0.357823534427528 74.593810607859950 20.907363157659329 20.661358457492597 3.295125369582617 -0.020047854969199 -0.001687571117377 -0.144941513557370 -0.228977556263298 -0.026497208642815 0.385287419293953 
-   20300 410.793548704998102 -5114.668587840694272 -5128.199222590067620 13.530634749373455 -75.902968189182786 -5091.845314119294017 -35.983950422046334 -0.369958048726750 77.025420020530703 20.906801767203529 20.661331114972448 3.283086221757114 0.009376925089268 0.000974948330713 -0.050038301943849 -0.268654279588280 -0.016486188050545 -1.881095919832383 
-   20400 412.740798328013625 -5114.662174538977524 -5127.913418460328103 13.251243921350989 -75.467576732072928 -5091.411873840514090 -36.138460171940793 -0.363084447872595 75.434940617536625 20.909187911555222 20.661514618777474 3.288425182099808 0.036858993244648 0.003463224871952 0.131811307884559 -0.216908402634074 -0.029046861931876 -0.776040507082938 
-   20500 414.692250456020702 -5114.668161017883904 -5127.774817242989229 13.106656225105709 -74.298853029163013 -5091.370819677751570 -36.049326322430865 -0.354671242807438 74.611850774422706 20.913953315159468 20.661996012532033 3.301945106998671 0.056138448945898 0.005660579781442 0.114950201785480 -0.109117540670198 -0.008454835623449 0.552428272723355 
-   20600 416.671888537995983 -5114.661487289897195 -5127.879380492344353 13.217893202447511 -73.670273060547260 -5091.462223484883907 -36.066856972248303 -0.350300035211178 75.245086026151256 20.920014631237919 20.662555553259136 3.308545013565989 0.062946153052302 0.005778669495477 -0.003076222696912 0.007436991085678 -0.014659304835402 1.569911817135411 
-   20700 418.629531693994068 -5114.665966486109028 -5127.917975012327588 13.252008526218477 -74.464778850686287 -5091.436154832335887 -36.127209724722732 -0.354610455268505 75.439293259682316 20.926004206314847 20.663188745559474 3.299953391638066 0.055468465108696 0.005634185244734 -0.150367226850716 0.104513660364394 0.045122837866662 0.584932932767426 
-   20800 420.585623134975322 -5114.660728554243178 -5127.664820934616728 13.004092380373795 -75.651983808271751 -5091.246067723155647 -36.052186320145410 -0.366566891315335 74.027988792651158 20.930665663445325 20.663642933234353 3.286142524641046 0.036709797051344 0.004005449180726 -0.089465625504726 0.184072206331337 0.031870991391764 -1.299401414934322 
-   20900 422.553776573971845 -5114.664047523639056 -5127.668656761252350 13.004609237613021 -75.738578271450137 -5091.269179961094778 -36.031802133851535 -0.367674666305594 74.030931089644568 20.933016866794247 20.663884645118252 3.285065020955099 0.008798772840621 0.001394516347324 0.069119913129705 0.258063305532310 0.035019300231739 -1.443986553581377 
-   21000 424.503771690011490 -5114.663940592985455 -5127.897911910394214 13.233971317408617 -74.625085011142744 -5091.393568747438621 -36.148878653285109 -0.355464509671010 75.336613406865965 20.932453196174265 20.663867768009268 3.298099250960901 -0.019309446092222 -0.001427668034251 0.152470101661998 0.222490881217025 0.021478177448493 0.424963849059844 
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-   21200 428.530958585964981 -5114.664516137035207 -5127.750451248944955 13.085935111909873 -74.029425603789207 -5091.304319109976859 -36.093465332305939 -0.352666806662719 74.493892343294689 20.924250529649470 20.663371488542126 3.304620330238623 -0.058116350463783 -0.003755260037620 -0.104510997888307 0.079037750202753 -0.001573243956577 1.123287457169201 
-   21300 430.534828039002605 -5114.668661369761139 -5128.477486172570934 13.808824802809911 -75.324968470647633 -5092.013848699007212 -36.101951472981732 -0.361686000581944 78.609063811703848 20.918141377087711 20.662959407307298 3.290398914552260 -0.062218514886340 -0.005214611573931 -0.143265073246218 -0.018072638652827 0.001278579943252 -0.762793451560363 
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-   49400 985.595412709983066 -5114.671632892842354 -5128.462144087374327 13.790511194532227 -74.471609611664206 -5091.952872456278783 -36.154044878531536 -0.355226752563264 78.504810508306875 20.918592748166564 20.673273077378401 3.299476295622225 -0.062395903495571 -0.063833002038488 -0.013418855554999 -0.025157553486144 0.218428883363505 0.736713691246728 
-   49500 987.542382869985886 -5114.669594073689950 -5128.223300587463200 13.553706513773164 -74.895353454677476 -5091.833825004161554 -36.028920432285524 -0.360555151016703 77.156759930033814 20.912750431230666 20.665905397183799 3.294954621429231 -0.052532387806725 -0.080334015785821 -0.053621171631077 -0.145867882209053 0.063568750368729 -0.323994980750477 
-   49600 989.481434456014540 -5114.665633468290252 -5127.543417618687272 12.877784150397463 -75.082543801167361 -5091.144883707318513 -36.037686725475538 -0.360847185892089 73.308957893792012 20.908484816395912 20.657860937398805 3.292901648618305 -0.031305175220736 -0.076912963409221 0.013113436957980 -0.222363406385132 -0.127130535337920 -0.602836324115048 
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-   50000 997.486907707992941 -5114.665129057698323 -5127.931963649474710 13.266834591776195 -74.711733148970708 -5091.556837124528101 -36.016542332277297 -0.358584192670682 75.523693138031561 20.916739710234012 20.648318099042349 3.297346274290629 0.059247757527796 0.044716134260025 -0.057231103938621 -0.048837136822837 -0.310882913334549 -0.118747419843737 
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-   50200 1001.405843761982396 -5114.671151263870343 -5127.945230711053227 13.274079447182455 -74.970689560707797 -5091.467010879696318 -36.118503311500461 -0.359716519855218 75.564935699152429 20.928264080961132 20.662206492125826 3.293759148724289 0.047346242021935 0.083320110119650 -0.006805093785653 0.175912830280962 -0.015282118290477 -0.117009852750963 
-   50300 1003.372174117015675 -5114.661521586445815 -5127.714404000811555 13.052882414365492 -74.942911807593305 -5091.367059989190238 -35.986507480523528 -0.360836531098131 74.305734288752177 20.931893180040351 20.670336531882079 3.295079034933714 0.024483675775085 0.075769818645614 0.044774154757568 0.218008402552523 0.173479071379459 -0.587084150235354 
-   50400 1005.324343936983496 -5114.670611841263963 -5128.634883009910482 13.964271168646963 -74.348619638164479 -5092.103870625079253 -36.177563554839168 -0.353448829991030 79.493968462597508 20.932987828675600 20.676695101115897 3.300720476371074 -0.003442479138236 0.049528788054177 0.036953200493105 0.248304538414911 0.284267734700689 1.000425863165075 
-   50500 1007.272738342988305 -5114.661637295385844 -5127.360311966742302 12.698674671356201 -74.581513045701826 -5090.996413267730532 -36.006835610993733 -0.357063088019003 72.289346980604776 20.931253946446208 20.679942616423272 3.298953998753674 -0.030549988715827 0.014077825990618 -0.047665141855764 0.209216025239915 0.336774089522718 -0.010124851878787 
-   50600 1009.235772582993377 -5114.666611233529693 -5128.405402633237827 13.738791399708177 -74.817183734706958 -5091.947674579202612 -36.098619763164848 -0.359108290869683 78.210386854613716 20.927039153730032 20.679426641442287 3.295382143781339 -0.052183347315796 -0.024882605390051 -0.025049183127306 0.137413235514063 0.340039888056611 0.071252194291002 
-   50700 1011.216181072988547 -5114.660690178065124 -5128.015270102872819 13.354579924807704 -75.128440954774931 -5091.584037771038311 -36.070446629596212 -0.360785702237897 76.023198243060449 20.921252688199687 20.675233421514370 3.292686028018789 -0.061183802359487 -0.057626523215103 -0.014851642531342 0.029673409889148 0.260285666473529 -0.575538295439269 
-   50800 1013.175574005988892 -5114.668878295072318 -5128.132141085652620 13.463262790580258 -74.910377687672593 -5091.728922832759054 -36.042999177493463 -0.360219075399015 76.641893783973899 20.915178263586675 20.668270923403643 3.294945738830980 -0.058314069422356 -0.078409025490177 0.052869598264734 -0.072826663517554 0.093105269665202 -0.297321819351357 
-   50900 1015.185688846977428 -5114.664790731909306 -5127.840652810378742 13.175862078469819 -74.419517007021483 -5091.404010754930823 -36.080945980373748 -0.355696075074034 75.005816765079331 20.910045731063512 20.660184844995914 3.300377065289994 -0.042151830577536 -0.081176216853301 0.036476956284971 -0.180051689679807 -0.018288089963970 0.542087256030681 
-   51000 1017.154411199968308 -5114.667535674519968 -5127.980345326783208 13.312809652263375 -74.375285665937568 -5091.551958630105219 -36.073828290531850 -0.354558406146070 75.785413922761066 20.907020799219659 20.652553158950916 3.301204686296912 -0.016723740141933 -0.068524275506840 -0.021053274030222 -0.249663034406004 -0.175879895522049 0.511933802223265 
-   51100 1019.090600471012294 -5114.662302629187252 -5127.766856013371580 13.104553384184635 -74.718366546931648 -5091.379874880734860 -36.028392091325017 -0.358589041311955 74.599879997871398 20.906801782352229 20.647005034945284 3.297040094611481 0.012160395076059 -0.039810794362800 -0.049138317695131 -0.250206501445388 -0.310643151247147 -0.074271828924262 
-   51200 1021.076823477982543 -5114.669336754205688 -5128.019589246696341 13.350252492490350 -75.045196269845874 -5091.625793642188000 -36.032639864328019 -0.361155740180217 75.998563604846595 20.909380561419564 20.644867606807026 3.293179332830262 0.038790805480916 -0.001792291334072 -0.018170285053228 -0.205829297456673 -0.369087485745657 -0.534158299006571 
-   51300 1023.028969065984711 -5114.662253805919136 -5127.994030632246904 13.331776826327415 -74.959777134055599 -5091.565800186771412 -36.068573864067261 -0.359656581407742 75.893387759609539 20.914277094107252 20.646769477580776 3.294245089354551 0.056313965074425 0.038912624165783 0.033767561195688 -0.089205742829236 -0.332854378261968 -0.320578043196920 
-   51400 1024.968567963980604 -5114.661291512783464 -5127.349087649064131 12.687796136281023 -74.568014163496684 -5090.956050224997853 -36.035489896466366 -0.357547527600182 72.227419085210769 20.920238166467719 20.652278839194295 3.298705281791604 0.060896681768575 0.068135080270905 0.043833503499087 0.006284889737875 -0.192399865308644 0.167809922781739 
-   51500 1027.007404058997054 -5114.669140105225779 -5128.309883129724767 13.640743024499310 -74.297910622870717 -5091.872431356134257 -36.082575156510757 -0.354876617079740 77.652229944558684 20.926124701297439 20.659913309621778 3.301458715212346 0.054147377428437 0.082639986749759 0.002980174675131 0.121433614215384 -0.069189616347231 0.723689972300885 
-   51600 1028.973924204008654 -5114.667133821228163 -5128.060159682626363 13.393025861398597 -74.633965954069382 -5091.650597761377867 -36.052374999444297 -0.357186921804188 76.242058220352590 20.930692509889361 20.668193667882921 3.298372256036335 0.035299123372687 0.079031894301027 -0.049633334036637 0.211716756568529 0.102973971478721 0.094598525050940 
-   51700 1030.932054636010434 -5114.663814082032331 -5127.983620094697471 13.319806012664735 -75.027117084355055 -5091.583308574159673 -36.039419529222897 -0.360891991314604 75.825241884162111 20.932951097684160 20.675210976410110 3.293767656863596 0.009498294282354 0.059114966906215 -0.030724235422292 0.239721037144186 0.233052319943741 -0.497110729552979 
-   51800 1032.897038524970412 -5114.661747513137925 -5127.930834783423052 13.269087270285317 -74.960060505887341 -5091.487346409092424 -36.083086280682366 -0.360402093649107 75.536516890320371 20.932448738963888 20.679556608734529 3.293855566330332 -0.019846639042066 0.025862847092985 0.026320191541301 0.250928896774933 0.339136254028435 -0.196640173950676 
-   51900 1034.844518705969676 -5114.663294446617329 -5127.526824896920516 12.863530450302841 -74.790524340208975 -5091.153338806796455 -36.014773207539157 -0.358712882585115 73.227816302361077 20.929130904127248 20.680114500406404 3.296661110024373 -0.045075319989607 -0.014956401528547 0.030949071289730 0.172567030223068 0.363809994573728 -0.260049338376509 
-   52000 1036.800018547975924 -5114.663227412010201 -5127.683134429853453 13.019907017843392 -74.362814739406346 -5091.243439817151739 -36.084928347846990 -0.354766264854912 74.118016283314489 20.923755331406735 20.676733200416045 3.300964249163127 -0.060774463150914 -0.051544552903522 0.034543821750129 0.090200522802801 0.290432494498641 0.612186419618995 
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-   52300 1042.764933119004127 -5114.673581288308924 -5128.400861801892461 13.727280513583379 -75.042376710534612 -5091.914377534712912 -36.126186435334006 -0.360297831845506 78.144859194234584 20.907530129732795 20.653888279183469 3.292981975745154 -0.027421898914357 -0.074198498608827 -0.006726012730843 -0.251499873680432 -0.161737738126658 -0.147552548458409 
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-   52700 1050.622292612970341 -5114.670536817704487 -5128.019209710815630 13.348672893110718 -74.826072244406888 -5091.618896290166958 -36.041092664406477 -0.359220756243151 75.989571469005668 20.917716698499675 20.650372996791539 3.295880103322253 0.062915390301345 0.059811179928115 -0.025234603503438 -0.028941126588506 -0.249147230867932 -0.212518920054691 
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-   52900 1054.555787799996324 -5114.665953494943096 -5128.039941207009178 13.373987712066192 -75.045103049296983 -5091.660469554099109 -36.017791787181281 -0.361679865729154 76.133680344820192 20.929546344089633 20.665850620794874 3.293372175269517 0.046124080927980 0.084127403985443 0.038702813988021 0.191128431723123 0.030565997919577 -0.590130023209667 
-   53000 1056.527853867970407 -5114.667419585472089 -5128.137187561535029 13.469767976063212 -74.585408100613165 -5091.683758769504493 -36.096334073010141 -0.357094719020170 76.678925649323688 20.932984700852369 20.673586585023493 3.298016458463173 0.021372094044516 0.067198870301761 0.033395392711628 0.262542820388995 0.225264891802687 0.385858136282851 
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-   58600 1167.983823471004143 -5114.668355986967981 -5128.165592434770588 13.497236447802193 -75.014660954197382 -5091.754426674465321 -36.050868002378934 -0.360297757926634 76.835294556784959 20.929311080280488 20.678212301473270 3.293721318132993 -0.052920344547650 -0.031085915689834 -0.009500210157627 0.177391052058440 0.326950127313563 -0.464977572867036 
-   58700 1170.009573568997439 -5114.663691019614816 -5127.946282864066234 13.282591844451527 -74.862679354618820 -5091.482753181828230 -36.103085470966420 -0.360444211272229 75.613393956076578 20.923165081201454 20.673460965043425 3.294427334166109 -0.068578410447659 -0.061744132320449 0.010615275822181 0.071170846229032 0.192083461988863 0.074611331718001 
-   58800 1171.976066736970097 -5114.665284826702191 -5128.111045524550718 13.445760697848712 -74.838539832441029 -5091.612926457224603 -36.140776636688898 -0.357342430636946 76.542260169671508 20.916225534243939 20.666355599433846 3.296026509047405 -0.067678508362463 -0.078018915751857 0.020273501865989 -0.065242981560190 0.077500224883505 0.105304294153183 
-   58900 1173.982492094975896 -5114.662817189976522 -5127.519580507056162 12.856763317080057 -74.629074049715825 -5091.092227933266258 -36.069458319379102 -0.357894254411478 73.189293255329304 20.910103753544298 20.658344714698625 3.297816813760723 -0.052766699329733 -0.078886536516996 0.016409167890947 -0.194453885437026 -0.083350468451911 0.207642689606170 
-   59000 1175.933051845000591 -5114.660296879297675 -5127.316862617762126 12.656565738464360 -74.694235051792234 -5090.875456456117718 -36.082997741851017 -0.358408419793911 72.049634779167917 20.906082185302086 20.651229067367655 3.296677777165708 -0.026038952000684 -0.060918728251398 -0.041298310451935 -0.268711896746405 -0.207309105141992 0.202781913542334 
-   59100 1177.877506238990463 -5114.667150133826908 -5127.651902964142209 12.984752830315223 -75.054913755029773 -5091.243473633935537 -36.048705773959909 -0.359723556245812 73.917895142658978 20.905039525635470 20.646632755269525 3.294039662960277 0.005700516678190 -0.029812024975352 0.003942162159390 -0.288368669604210 -0.280408827399879 -0.561822152868118 
-   59200 1179.872947473020758 -5114.664098285511500 -5127.753171984890287 13.089073699379226 -74.845973795353103 -5091.284333380885073 -36.109670258885828 -0.359168345119933 74.511759281732992 20.907196233784891 20.645490528555918 3.294778774764461 0.036562814193578 0.008150031294903 -0.004220778867781 -0.251819534786153 -0.341101303104355 0.098143027145902 
-   59300 1181.823008663021028 -5114.660392147646235 -5127.525403156801985 12.865011009155632 -74.839653962285865 -5091.132144709630666 -36.033730606436606 -0.359527840734887 73.236244633301467 20.912096577111857 20.648060859725870 3.295715466391315 0.058914457845090 0.041812279632368 0.030202675084489 -0.114550845048322 -0.298113343724197 -0.241785204785970 
-   59400 1183.770525730971713 -5114.666787216317061 -5127.944743971883327 13.277956755566334 -74.610984454476025 -5091.461148998456338 -36.127517539415081 -0.356077434010826 75.587007930969293 20.918584466997658 20.653692065889238 3.298066219645003 0.068849650393698 0.068326063776455 0.004480792863620 -0.021854450511074 -0.169032902260843 0.398887364691523 
-   59500 1185.741149467998184 -5114.663230081324400 -5127.899658864047524 13.236428782723126 -74.726059084840955 -5091.471231548205651 -36.069303722970112 -0.359123592872515 75.350602942578220 20.925314037714507 20.661257537584987 3.296306419294086 0.063910797866192 0.080167045436934 -0.033782733082180 0.101788120840789 -0.014508295067236 0.102914340152699 
-   59600 1187.691945949976798 -5114.670523057478931 -5128.282474101630214 13.611951044151088 -74.990384861652473 -5091.858768334949673 -36.063257023027703 -0.360448743652501 77.488326741152250 20.930844436058429 20.669084698098814 3.293936759045808 0.044802886018855 0.074038750144032 -0.003434539424790 0.212424305835994 0.119750251149831 -0.355908018797915 
-   59700 1189.640544636000413 -5114.668887178606383 -5128.148923829996420 13.480036651390053 -74.957072336226787 -5091.664303633244344 -36.125346298003841 -0.359273898748626 76.737381815257891 20.933967133511629 20.675563660955717 3.294134531924589 0.016216688210791 0.052545399650846 0.001017056391171 0.282072838691973 0.264165753130139 -0.056334986752345 
-   59800 1191.613677249988541 -5114.665728228182161 -5127.799658637853099 13.133930409671187 -74.876012745650797 -5091.451112348998322 -35.987954352710844 -0.360591936142841 74.767113669385608 20.933921969839385 20.679136638160269 3.295400125106230 -0.017543459263983 0.017733126433886 0.028724724239118 0.287558753956333 0.328812804545093 -0.436622065999910 
-   59900 1193.573104084993247 -5114.669964132583118 -5128.273191086494080 13.603226953911289 -74.456683915184271 -5091.735429564229889 -36.183622527786298 -0.354138994477854 77.438663386293854 20.930688810621540 20.678982228199089 3.299446100970650 -0.045313359626894 -0.020605339045103 0.024388215435364 0.206536863670967 0.328387304324859 0.857609604334654 
-   60000 1195.523905557987746 -5114.662469545366548 -5127.895464042803724 13.232994497437328 -74.707252140690372 -5091.472879055680096 -36.064775100517366 -0.357809886606000 75.331052694455451 20.925126920023203 20.675189679511398 3.297325761450910 -0.063516661889500 -0.053799668814466 -0.047019902651035 0.105172343700223 0.258701900794962 0.036316866629660 
-   60100 1197.489953208016232 -5114.660279606767290 -5127.934222357092040 13.273942750324832 -74.924747000370701 -5091.512915168950713 -36.060416911822010 -0.360890276319488 75.564157529238827 20.918390782029096 20.668637574140210 3.294197515479702 -0.068479720897670 -0.074397321002820 -0.011436737060547 -0.041936475584881 0.124647321527597 -0.196414198871184 
-   60200 1199.655540891981218 -5114.670867066820392 -5128.253025382496162 13.582158315675571 -75.023809079083080 -5091.779430452426823 -36.113663681691449 -0.359931248378779 77.318726610272165 20.911953206408914 20.660801542330827 3.293297566620685 -0.057978314169516 -0.078889802076534 -0.005518694226536 -0.166189310611138 -0.036509834905462 -0.222865679744066 
-   60300 1201.623681056022178 -5114.666101919240646 -5127.698875702245459 13.032773783004815 -75.003777244354325 -5091.345379226846489 -35.992853597199215 -0.360642878200047 74.191262513755376 20.907211140018052 20.653475049839681 3.294224582168038 -0.035629231832073 -0.065247547781960 0.037126677008847 -0.222595952936286 -0.182275088406259 -0.687647435505084 
-   60400 1203.700706781994086 -5114.674228858802962 -5128.377494391565961 13.703265532762712 -74.469943380756249 -5091.897387665760107 -36.123833958197693 -0.356272767608434 78.008149866197883 20.905158226503666 20.648181632747299 3.298946888496781 -0.004992004973589 -0.039173408700156 0.028020832796045 -0.271923019733770 -0.269013011642064 0.686581152416047 
-   60500 1205.656553336011712 -5114.656965276664778 -5127.454270825397543 12.797305548733084 -74.642835099569595 -5091.048195044844761 -36.048997350756046 -0.357078429796854 72.850819882480252 20.906282880402038 20.645874624552917 3.298243011302434 0.027356501465620 -0.005775463214163 -0.028815086114246 -0.271262069222757 -0.325536403653593 0.065205440961934 
-   60600 1207.608156055968720 -5114.666646264049632 -5128.128298887917481 13.461652623868135 -74.844232473540515 -5091.673497081194000 -36.095881370436857 -0.358920436286606 76.632727638438112 20.910372974944455 20.647134843437691 3.295385984529304 0.052802347076068 0.030423028428405 -0.028184913056582 -0.165742333748089 -0.295509942579065 -0.007504196484027 
-   60700 1209.626583078003023 -5114.666263549101132 -5127.906771491750987 13.240507942650199 -74.991938312788619 -5091.435675343056573 -36.110697654351235 -0.360398494343361 75.373824248343524 20.916383236471621 20.651799705937851 3.293345077221779 0.066134016241417 0.061430848978925 -0.009422739906625 -0.096794036594121 -0.237805231494651 -0.142478024859708 
-   60800 1211.585304698965047 -5114.664674737939094 -5127.766834435427882 13.102159697488776 -75.037815620598195 -5091.323564680618802 -36.082884108571363 -0.360385646237157 74.586253532700979 20.923181812592297 20.658956803633536 3.293457804587023 0.066490380088350 0.078396156241418 0.016447380835744 0.074731506965842 -0.073880277625225 -0.357585795241957 
-   60900 1213.546699323982466 -5114.659290323398636 -5127.163001192028787 12.503710868629732 -74.700878343301099 -5090.713034498692650 -36.092054666013155 -0.357912027322394 71.179482656279447 20.929193563830978 20.666911984444656 3.296867651950521 0.051418233210632 0.077315235917458 0.040045299508372 0.182263161910490 0.087929468975686 0.199488152030710 
-   61000 1215.525696727971081 -5114.666190508091859 -5127.784674948181419 13.118484440089624 -74.556312631933338 -5091.351781609935642 -36.076405859774937 -0.356487478470897 74.679184882844439 20.933140977969291 20.673877624092057 3.298772563096953 0.026219955531633 0.059890669073169 -0.003089648923803 0.263761202549629 0.216175433595505 0.330147660296206 
-   61100 1217.477306146989577 -5114.662442952628226 -5127.506778471286452 12.844335518657946 -74.725231825971193 -5091.099207586792545 -36.049899647184112 -0.357671237310381 73.118545917076162 20.934223028002606 20.678282826509978 3.297310193174507 -0.004344266959475 0.026560601978435 -0.018182107466327 0.265110802212978 0.299801128168076 -0.071454246297919 
-   61200 1219.427666376985144 -5114.666484186789603 -5128.133693631727510 13.467209444938332 -74.825033258208947 -5091.681939354783935 -36.092858282081210 -0.358895994862083 76.664360779442873 20.932264601393431 20.679183797712621 3.295321221601653 -0.033902114727445 -0.009660068171157 -0.023358651245130 0.233382912151015 0.341441395644367 0.006057454767149 
-   61300 1221.380120125017129 -5114.658117094336376 -5127.672109200530031 13.013992106193246 -74.969111802063225 -5091.203420160964015 -36.108630688797263 -0.360058350768093 74.084344651297528 20.927599762069519 20.676383124989911 3.293815015009161 -0.057358394047680 -0.044374475268677 -0.006384595766662 0.146815047216513 0.261549681448129 -0.112142592080202 
-   61400 1223.361136447987519 -5114.667235087195877 -5127.737190730350449 13.069955643154676 -74.922477030630120 -5091.352080053728059 -36.024807973028949 -0.360302703593653 74.402926522742121 20.921256618000328 20.670586491783880 3.294981590544385 -0.067684682431067 -0.069586641320772 0.037131783911693 0.030364292160638 0.162984363207919 -0.410805394752996 
-   61500 1225.395204708969686 -5114.661812510829805 -5128.185729374092261 13.523916863262555 -74.529588398665013 -5091.677243267116864 -36.152606193423381 -0.355879913551927 76.987177320988010 20.914579437451565 20.662998458801994 3.298645805177032 -0.063418081421208 -0.079640488182129 0.014724562260692 -0.096682972099246 0.020345743115000 0.641274367406234 
-   61600 1227.347302455978934 -5114.670037946466437 -5128.052260487002968 13.382222540536890 -74.664921351117073 -5091.679023136272917 -36.015206574118793 -0.358030776610273 76.180558494552372 20.909024867204398 20.655278628835241 3.297772807712580 -0.044978322963783 -0.071587746120135 -0.015223951752582 -0.242737796977878 -0.136135918034719 -0.099568841420124 
-   61700 1229.447742504999042 -5114.665138923192899 -5127.950596875294650 13.285457952101799 -74.749811394309276 -5091.496352290028881 -36.096002678057495 -0.358241907208965 75.629709757195698 20.905923904653168 20.649112008972434 3.296314820411508 -0.016887429210350 -0.049966999694091 -0.018409725164958 -0.255720056677311 -0.259665127663034 0.143648340764325 
-   61800 1231.412705477967393 -5114.662505806331865 -5127.805402336641237 13.142896530309763 -74.950871155674420 -5091.335366068611620 -36.110480058480803 -0.359556209549439 74.818154823103328 20.905787999057580 20.645812758090656 3.293990959440273 0.014621351644924 -0.015134247382204 -0.025480004949750 -0.293237408758033 -0.331624745857921 -0.079617364878465 
-   61900 1233.355554210022092 -5114.668597516438240 -5128.059248016657875 13.390650500219893 -75.031552684164666 -5091.689830250059458 -36.008348398633700 -0.361069367963924 76.228536076278857 20.908710595109980 20.646262837384214 3.293702111304703 0.042019354531412 0.023859620803400 0.032907261366579 -0.179750171421673 -0.310218004504734 -0.632608839522370 
-   62000 1235.328218744019978 -5114.662835203563191 -5127.921326640431289 13.258491436867722 -74.602011550469257 -5091.412462945951120 -36.152581097134252 -0.356282597346667 75.476198321784949 20.913928715163578 20.650330363079721 3.297883898811328 0.060738956244493 0.056179978086135 0.024901701535366 -0.087670465179804 -0.247117397084032 0.552422356051578 
-   62100 1237.277452614973299 -5114.668061442348517 -5128.179954140482550 13.511892698134419 -74.641889419257637 -5091.783702991257087 -36.038284314029880 -0.357966835196087 76.918727733326662 20.920358711999032 20.657019159852222 3.298005559561302 0.066084743074767 0.074702730310893 -0.014216539934686 0.014597243016734 -0.103278366661574 0.025623320749540 
-   62200 1239.232639485970140 -5114.661430585460039 -5127.892920937913004 13.231490352453170 -74.655682893018081 -5091.419119574389697 -36.116061274474973 -0.357740089049465 75.322490095484852 20.926655369307134 20.664787714086454 3.297004762292370 0.057780124487216 0.078294576181012 -0.013050968634381 0.126313196856286 0.025868562725629 0.355517567442290 
-   62300 1241.252551111974753 -5114.661092334717068 -5127.745487540601971 13.084395205884450 -75.003362097544795 -5091.286271835902880 -36.099706282861263 -0.359509421837729 74.485126168566211 20.931522570771147 20.672174503112387 3.293880831269361 0.037830266521798 0.066088499369069 -0.032657375941649 0.225543548266116 0.193264116931823 -0.273220199816741 
-   62400 1243.218172576976940 -5114.670271277790562 -5128.369439296152450 13.699168018361714 -75.018742771583277 -5091.957385858839189 -36.050838873173923 -0.361214564139774 77.984824074494597 20.933889831097297 20.677413734640030 3.293568006719288 0.009384033493607 0.037258633161969 0.030545437763955 0.262746472895575 0.279122053445715 -0.395944176802966 
-   62500 1245.166983122006059 -5114.663845240535920 -5127.881510261163385 13.217665020627770 -74.608403925609707 -5091.441166259466627 -36.083222288770934 -0.357121712925548 75.243787062663429 20.933239315143506 20.679384003404596 3.297926117208683 -0.022191192522698 0.001336909380761 0.040587262357556 0.261720549227021 0.330659125188412 0.303620834726282 
-   62600 1247.133285434974823 -5114.666145659095491 -5127.778925816333867 13.112780157238420 -74.580874408243062 -5091.389500242554277 -36.033156472655904 -0.356269101124081 74.646712290784393 20.929634830794253 20.677707004196222 3.299425129487513 -0.048803102344024 -0.034081082926418 -0.005893206201819 0.197095947389046 0.297918869750690 0.051640143788877 
-   62700 1249.088067008007783 -5114.662952773707730 -5127.626064036825483 12.963111263117367 -74.551708057850703 -5091.189266628725818 -36.079581206734588 -0.357216201365908 73.794696871905671 20.923909910982172 20.672729588952532 3.298389969475186 -0.062755935642676 -0.063355369041453 -0.023933508077612 0.059089181113860 0.197245050936786 0.353867991556516 
-   62800 1251.021938465011772 -5114.665742067795691 -5128.384089755306377 13.718347687510940 -74.968536418734615 -5091.955571563801641 -36.067953997703512 -0.360564193801130 78.094007575449155 20.917391564631952 20.665510717795300 3.293962321001850 -0.065458996248819 -0.078615144183282 -0.050666037756591 -0.048626293817465 0.053640188672012 -0.298421670405505 
-   62900 1253.117274124000687 -5114.664680407926426 -5127.703981431402099 13.039301023475625 -75.106035340116136 -5091.245355778145495 -36.098302296470465 -0.360323356786087 74.228419930842733 20.911383588625267 20.657671595478455 3.292656781177501 -0.051896478684991 -0.074606582519324 0.026381338810015 -0.179013760580987 -0.120920407274921 -0.414845900291783 
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-   67900 1352.363704743969720 -5114.664411152553839 -5128.077672924704530 13.413261772150845 -74.614834320035072 -5091.680215454565769 -36.039278113677796 -0.358179356461454 76.357254554749403 20.932034997165875 20.677186182068414 3.297816092147513 -0.031390531128892 -0.027856937357087 0.045166254438403 0.239774821971979 0.281689065546350 0.121348103235435 
-   68000 1354.364037339983042 -5114.670176991572589 -5127.972654101358785 13.302477109785945 -74.439927409198702 -5091.481090059739472 -36.137060744788151 -0.354503296831886 75.726594182302037 20.927686444349195 20.672949029927004 3.300222998825613 -0.054187132067305 -0.055165936975753 -0.011118229290785 0.161741990251278 0.182148333591502 0.692683546724767 
-   68100 1356.324517077999189 -5114.665559035379374 -5127.828906503273174 13.163347467893940 -74.756346123722068 -5091.363447752413776 -36.107209495302570 -0.358249255557090 74.934575234001485 20.921583915343131 20.666569416593116 3.296246207133787 -0.065134906860449 -0.070339682022566 -0.059729453765809 0.030993796897111 0.077846328488330 0.162913019934464 
-   68200 1358.280692274973262 -5114.660611509184491 -5127.245567456045137 12.584955946860463 -75.129073054467966 -5090.833716655290118 -36.049467878834989 -0.362382921920740 71.641983964698312 20.915074718135813 20.659453695431477 3.291886518331531 -0.062883550794413 -0.069629898254699 -0.009779136515814 -0.083048288109371 -0.041697281260299 -0.560958272818666 
-   68300 1360.388489919016138 -5114.659954609763190 -5127.781748138801049 13.121793529037504 -75.122890260958570 -5091.307973434011728 -36.113385234338750 -0.360389470449926 74.698022429701396 20.909481782593019 20.653035896187507 3.292360589555028 -0.046556300682099 -0.056086601046018 0.021648319587434 -0.214755474691714 -0.179012305210265 -0.382481741569757 
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-   68500 1364.354960815981030 -5114.670434651024152 -5128.219680497244553 13.549245846220836 -74.429190432397334 -5091.807843801698255 -36.055786806256855 -0.356049889289524 77.131366827777029 20.905575648038354 20.647337389971277 3.300096294673756 0.010540708291721 0.003516319797858 0.007357673730155 -0.279232305784953 -0.294343188434569 0.456019928866322 
-   68600 1366.421944617992267 -5114.658491371546006 -5127.640375984858110 12.981884613312074 -74.625319983400658 -5091.160472949442919 -36.123745899406870 -0.356157136008752 73.901567333692896 20.908129653786691 20.649325129331736 3.298121035679705 0.039155897058305 0.035526217515389 -0.045796332190450 -0.207131149802296 -0.252607480898297 0.368503114473542 
-   68700 1368.549961419019382 -5114.666364322723894 -5128.129691205609561 13.463326882885804 -75.010150978052295 -5091.663356641189239 -36.105860148181954 -0.360474416239868 76.642258640231290 20.913103476464432 20.654237493417181 3.293293873133481 0.058904916309126 0.061086595769347 -0.042345822359304 -0.134243793229694 -0.168364062101170 -0.203911123209940 
-   68800 1370.670378190989140 -5114.660700665738659 -5127.947946868691361 13.287246202952735 -75.179346252408877 -5091.490390377186486 -36.095397501538592 -0.362158989966430 75.639889676722518 20.919472128089200 20.660954797074709 3.291282494259859 0.065825517015502 0.071099228312329 0.009984074638407 0.007009448590243 -0.042361772344890 -0.456325530662993 
-   68900 1372.681545077997725 -5114.665620049496283 -5127.976795692330597 13.311175642834648 -74.932536960840409 -5091.494428214929940 -36.123484123794327 -0.358883353606258 75.776112048540341 20.925859774382051 20.667978466284499 3.294418149089799 0.059770751121135 0.065850747222019 0.044647754024703 0.118781404626415 0.139656990680896 -0.063808123717987 
-   69000 1374.683337768015917 -5114.669145266422674 -5128.437721416051318 13.768576149628476 -74.587121045789800 -5092.008868938544765 -36.071651886037138 -0.357200591469991 78.379941566222769 20.930964984225497 20.673660874370455 3.298402179082327 0.040395731348046 0.046444814812337 0.029340900125922 0.220869117521957 0.208001351657494 0.264787982656082 
-   69100 1376.688224899990018 -5114.663176119333912 -5128.092870279800991 13.429694160467500 -74.512182829449188 -5091.690378025725295 -36.045608250179143 -0.356884003896975 76.450798696282703 20.933667233683845 20.676968958770008 3.299223956104719 0.012155506620723 0.018818104622223 -0.011103066612057 0.274899128507695 0.262017113339648 0.281416808507546 
-   69200 1378.639659387001302 -5114.663985203876109 -5127.869441643959362 13.205456440082804 -74.821755403135057 -5091.379712344208201 -36.132360213024754 -0.357369086727033 75.174287659143275 20.933322712477167 20.677186207462022 3.295887710069715 -0.018394776046892 -0.014720782408017 -0.060103187157304 0.247820129467329 0.303033019421342 0.112509563486872 
-   69300 1380.590907812991645 -5114.663591892434852 -5127.767306610903688 13.103714718469252 -75.160466933689875 -5091.400164720294924 -36.004262711643825 -0.362879178965564 74.595105751859975 20.930049423144148 20.674170989683315 3.291913667838297 -0.046711506712237 -0.044824652397566 -0.000636960683269 0.223007802000262 0.238419189202107 -0.779563040990867 
-   69400 1382.546901099965908 -5114.669112463180682 -5128.064086454667631 13.394973991487200 -74.899011483928916 -5091.569603306925274 -36.134961887101483 -0.359521260641646 76.253148279400733 20.924356936624374 20.668565616157601 3.294220920175016 -0.063812498865697 -0.065060886730972 0.025830779031221 0.076803704457810 0.110490765462617 0.087018129355128 
-   69500 1384.488098384987097 -5114.661151354305730 -5127.450910401243164 12.789759046937510 -74.746559176264199 -5091.045391489798931 -36.047591301687895 -0.357927609757092 72.807860148420716 20.917678838566321 20.661642348506401 3.297261415318846 -0.067597809193132 -0.070884089051693 0.039430570340722 -0.021684474155880 -0.028696440558758 -0.118671989362079 
-   69600 1386.440159077988937 -5114.665910478300248 -5128.180902726737258 13.514992248436622 -74.370043043047417 -5091.715182329161507 -36.110480307319690 -0.355240090256408 76.936372446108010 20.911342556370499 20.654970459746096 3.300522667024910 -0.056961221282308 -0.060829926276090 0.011253879675181 -0.148911852811399 -0.136413123364386 0.735802697987671 
-   69700 1388.402063584013376 -5114.662078303148519 -5127.910570724349782 13.248492421201197 -74.653568056620045 -5091.503430481081523 -36.049449597539322 -0.357690645729439 75.419277238940580 20.906730592023571 20.649984281966180 3.297757462020139 -0.033793942133113 -0.036201806418753 -0.051350561607514 -0.244225237791658 -0.271164729811055 0.089300616775735 
-   69800 1390.372976979007944 -5114.666036617768441 -5127.817089924618813 13.151053306849986 -75.036316095210736 -5091.380887460052691 -36.076762195275194 -0.359440269291547 74.864588649059158 20.904927687182571 20.647878932097864 3.293492364903860 -0.002174273233115 -0.005424158114112 -0.024366511690369 -0.278855716464688 -0.283228214624507 -0.435763511038486 
-   69900 1392.320280529966112 -5114.662541815431723 -5127.852732003850178 13.190190188418887 -75.083141334814300 -5091.430310547864792 -36.060340854100708 -0.362080601883919 75.087381947154654 20.906320133965270 20.648940598406917 3.292276341909351 0.029184066192440 0.026557568210669 -0.000283114189489 -0.258817852937900 -0.264464496992634 -0.430835641406611 
-   70000 1394.260116052988451 -5114.660110269999677 -5127.877102907430526 13.216992637430470 -74.907055599676681 -5091.419838651849204 -36.097958842359688 -0.359305413220815 75.239959407926889 20.910564937544912 20.652983685515522 3.295001971050916 0.054505376020670 0.052357463574488 0.045227621014165 -0.186908636299396 -0.160369572575277 -0.089084454595092 
-   70100 1396.224187598971184 -5114.661698457533021 -5127.895856152343185 13.234157694810026 -74.528655665253041 -5091.420443522010828 -36.120020399128776 -0.355392231203415 75.337674391652840 20.916829476550831 20.659027666422045 3.299516353173821 0.068571863823164 0.067543871595591 0.033918913483905 -0.056679506703939 -0.096780137535925 0.493863002945860 
-   70200 1398.155863934021909 -5114.660311040984197 -5127.613616219216055 12.953305178232018 -74.389060614225684 -5091.155080050083598 -36.102084597810524 -0.356451571322186 73.738874080067617 20.923748522533028 20.665936778816455 3.299786086934282 0.067142795850422 0.067990340441260 -0.032578889996382 0.071599464109432 0.060037330437407 0.728918361605548 
-   70300 1400.118365211994387 -5114.664860668822257 -5128.186498417907387 13.521637749084755 -74.960652226345715 -5091.750261786069132 -36.076510031074136 -0.359726600764453 76.974203079197324 20.929830779289219 20.672146882911488 3.294161186659005 0.051418812338450 0.054306687184681 -0.056962050198100 0.207720192611801 0.181140938283223 -0.291196468857629 
-   70400 1402.088197105971631 -5114.669536590246935 -5128.132797360211043 13.463260769964075 -75.257793794658625 -5091.621754384872474 -36.150306297940325 -0.360736677397918 76.641882281275528 20.933654642301921 20.676313133585047 3.290730735442231 0.023262610325473 0.027176668902720 -0.008574510690406 0.293537509332467 0.281780241639221 -0.413809968316569 
-   70500 1404.045371070969850 -5114.662449902470144 -5128.021524974352360 13.359075071882458 -75.119430747702182 -5091.661561915153470 -35.996492466723424 -0.363470592475734 76.048787625813020 20.934380715327638 20.677373612424521 3.292122870361674 -0.008240461179337 -0.006707342174798 0.042997175351214 0.283925582706580 0.307700691165887 -0.690878297114745 
-   70600 1406.002689114015084 -5114.662296973999219 -5127.913503003868755 13.251206029869891 -74.592895397751775 -5091.415878610748223 -36.141878437765321 -0.355745955354939 75.434724913890733 20.931885757024755 20.675031970829920 3.298372381282516 -0.039801485205785 -0.038395776137912 0.056007643777156 0.225873123653489 0.235889579011367 0.509437859667923 
-   70700 1408.012913278013002 -5114.662096483522873 -5127.923702168417549 13.261605684895118 -74.393391013777801 -5091.447487961055231 -36.121754750265872 -0.354459457095975 75.493926703845474 20.926789554654718 20.669968132919472 3.300731994875731 -0.060947243424865 -0.060808350029297 -0.011517004457476 0.142326167852458 0.139609911347529 0.693343243805024 
-   70800 1409.957678437000141 -5114.661084303609641 -5127.464559302678026 12.803474999068053 -74.699627349532420 -5091.031027259719849 -36.074469365470073 -0.359062677488452 72.885940518884155 20.920108630886453 20.663286687828887 3.296435995898387 -0.070198684895146 -0.069532973937479 -0.065097488906182 0.011458159379239 -0.030961999955700 0.185147873607317 
-   70900 1411.893755847995635 -5114.664756860298439 -5127.951885628777745 13.287128768479434 -75.294146385272342 -5091.472023513199019 -36.118312535982284 -0.361549579596566 75.639221161179933 20.913308002810261 20.656577100186514 3.290557753468755 -0.063388620475436 -0.063009346635325 -0.035665229869811 -0.122918127273939 -0.105608608809095 -0.625460620153667 
-   71000 1413.909263831970748 -5114.662595221937408 -5127.914677146486611 13.252081924549501 -75.272028981163828 -5091.438088452595366 -36.114405709494903 -0.362182984396418 75.439711092059042 20.907905553051613 20.651211255164085 3.290648872372561 -0.042334737847020 -0.042223358739397 0.036491182927803 -0.246924756809060 -0.232740598757795 -0.527649262212760 
-   71100 1415.865980128990486 -5114.663515458634720 -5127.773009695943983 13.109494237309663 -74.783147658418443 -5091.386274422387032 -36.026237074971569 -0.360498198584079 74.628006637475849 20.905049033499726 20.648428200772432 3.295780525894292 -0.013521774975899 -0.012972800002955 0.058132232318166 -0.295122312708841 -0.269672528031061 -0.073202289227833 
-   71200 1417.816456961969379 -5114.663249321519288 -5127.583805810868398 12.920556489349183 -74.376564862228321 -5091.095184977029021 -36.135612224185451 -0.353008609653555 73.552446646096797 20.905395454987403 20.648588150507901 3.301153393840718 0.019176029869843 0.016602197313070 0.031648558061283 -0.260738483625830 -0.286593027297744 0.717664247399125 
-   71300 1419.780306401022244 -5114.660889633929401 -5127.769808593100606 13.108918959171206 -74.473559084692013 -5091.272553405807230 -36.142019878860907 -0.355235308432739 74.624731769661878 20.908820454023534 20.651729056197730 3.299247049505595 0.048353679090108 0.044970654444976 -0.069022823158086 -0.224041823898254 -0.219782440675183 0.696016107163264 
-   71400 1421.749061912996694 -5114.668250683789665 -5128.116255286493470 13.448004602703868 -75.147212144754334 -5091.743447365668544 -36.008876828228885 -0.363931092596611 76.555033976455590 20.914675020929657 20.657306754576066 3.291535552826944 0.066605865877579 0.063903631255263 -0.055053039059766 -0.104062483637189 -0.092046264541067 -0.685018688273205 
-   71500 1423.704127133009024 -5114.663510448552188 -5128.245203005681105 13.581692557128584 -75.345884119888950 -5091.691316711207037 -36.192747245360522 -0.361139049113946 77.316075201201244 20.921631313156720 20.664035424859136 3.289713405501669 0.070162968887205 0.068846963710282 0.011039544129252 0.038177146037138 0.020435395146411 -0.408859333847882 
-   71600 1425.682524714968167 -5114.668739532045947 -5128.046706338687727 13.377966806642053 -75.071030915415804 -5091.660750026620008 -36.024538409516822 -0.361417902550910 76.156332011699405 20.928124741627538 20.670419510867173 3.293204022311338 0.057554030490929 0.056418662129136 0.064589148131166 0.164268505428586 0.149215561460880 -0.613648234145760 
-   71700 1427.658321244991384 -5114.660848922510013 -5127.432201003543014 12.771352081032752 -74.313946690597319 -5090.999931003820166 -36.076833210102571 -0.355436789620738 72.703075390988460 20.932752769420887 20.675008752358668 3.300985674887907 0.032846227967747 0.033601357382440 0.062177251334641 0.254542570869700 0.242170618707349 0.723018345777471 
-   71800 1429.607215014984831 -5114.661341754824207 -5127.569301019799241 12.907959264975034 -74.311636568184838 -5091.059308239857273 -36.157349523564022 -0.352643256377032 73.480734822040901 20.934583133490190 20.676848283690891 3.301876396268463 0.002614490538934 0.002284760931079 -0.048096051961034 0.313895387517166 0.293670344059821 0.921856969852436 
-   71900 1431.681697802967392 -5114.668554806205975 -5128.100480961161338 13.431926154955800 -74.953244700426694 -5091.721201024349284 -36.018899739164716 -0.360380197647432 76.463504701294980 20.933224052110180 20.675516781140246 3.294446614086155 -0.028993155107811 -0.028139273298863 -0.068775152423887 0.281619437787732 0.249917544094117 -0.465602967949070 
-   72000 1433.640505686984397 -5114.664463294567213 -5127.886036781121220 13.221573486554208 -75.247223762562726 -5091.386445902518062 -36.136680089436240 -0.362910789167492 75.266036664045487 20.928917911378612 20.671395784940149 3.289997367129831 -0.055203708485014 -0.053122460724797 -0.023419492501425 0.179588052704182 0.186421784938593 -0.331081617997646 
-   72100 1435.694443446001969 -5114.665514043545954 -5127.870479303350294 13.204965259804084 -75.319328248492567 -5091.452662433286605 -36.055724486737176 -0.362092383327265 75.171491532577519 20.922509174949461 20.665310581027921 3.290979428283839 -0.070382026818942 -0.066133357664209 0.055800630733399 0.072154804303164 0.054560053875564 -0.913897448086285 
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-   72300 1439.903971804014873 -5114.666289007133855 -5128.116330604316317 13.450041597182510 -74.123441580465311 -5091.677367122701071 -36.085237630336266 -0.353725851278978 76.566629911029480 20.909300052413492 20.652679345704872 3.303194877869581 -0.052445430517668 -0.050430433212733 -0.013542827213105 -0.154147514071898 -0.183590705151218 1.007143389838846 
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-   72800 1450.437727565993555 -5114.663232725926719 -5127.871775871773934 13.208543145847386 -74.200850798107524 -5091.390465166143258 -36.127820922939826 -0.353489782690593 75.191859252228198 20.919198348648361 20.662010420994143 3.302338954160044 0.071564104207666 0.068752486202956 0.029502743186228 -0.002528804221630 -0.008474400326938 1.039458527122157 
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-   73300 1460.346595291979611 -5114.661534141364427 -5127.512486062621065 12.850951921257046 -74.497617459268653 -5091.051335357758944 -36.105851042895914 -0.355299661967265 73.156210904614483 20.930848946358374 20.672917112340496 3.299575335326449 -0.050007340530140 -0.048770070078286 0.063402097477410 0.200382066321701 0.208657396982827 0.486541093349257 
-   73400 1462.409220488974825 -5114.665678102839593 -5127.770954373333552 13.105276270493960 -74.199297412933518 -5091.317815377691659 -36.099016206061123 -0.354122789581433 74.603995150089617 20.924845041581239 20.667059394045605 3.302493407911002 -0.067478249043709 -0.066473636052211 -0.018433197018469 0.091578480722002 0.089118866312057 0.941948108834107 
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-   73600 1466.461902940995060 -5114.656405051387992 -5127.335464386093008 12.679059334704766 -75.273205723479151 -5090.836858784246033 -36.136975850733734 -0.361629751112837 72.177683368926040 20.911167923288730 20.653936011938800 3.290342784095951 -0.059143426315207 -0.055009815621882 -0.043655257225624 -0.168895552659762 -0.194609930941158 -0.469732981718603 
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-   73800 1470.602909353969153 -5114.661064235599952 -5127.511975314915617 12.850911079315509 -74.758686513560122 -5091.042243463865816 -36.112603387535394 -0.357128463513853 73.155978404974988 20.904684054496020 20.648138186274142 3.296425795007166 -0.001240365325124 -0.000500101293921 0.091065989587994 -0.292891896589245 -0.280570502625754 0.138006669581766 
-   73900 1472.590884462988470 -5114.667854885592533 -5127.800798817817849 13.132943932225471 -74.291176864892051 -5091.350424577849481 -36.096314481961400 -0.354059758006664 74.761497980173360 20.906227843003599 20.649652539730898 3.301791806303520 0.031494669183397 0.030047141143247 0.003989938960648 -0.252120632227351 -0.251510411665914 0.766178308022169 
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-   74100 1476.527899506967515 -5114.667058575691954 -5128.196942658951230 13.529884083259139 -75.030032758713716 -5091.632633268309291 -36.205293880284430 -0.359015510357184 77.021146727087981 20.917159707074966 20.659928877560418 3.292910329522491 0.070387967335462 0.065471301938329 -0.068037855523907 -0.073930580660249 -0.063009724816441 0.112898530827878 
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-   74300 1480.469748058996629 -5114.662412170459902 -5127.885595535838547 13.223183365378572 -75.063103595575598 -5091.401735449747321 -36.122946535118388 -0.360913550973084 75.275201170731663 20.930287409213864 20.672433945132845 3.292509605507604 0.050381037997824 0.049295153493458 0.087338278771718 0.190028089181031 0.198862933335572 -0.176877406642142 
-   74400 1482.422948743973393 -5114.664240450696525 -5127.692402106194095 13.028161655497623 -74.487811196433597 -5091.229538919378683 -36.108127459323242 -0.354735727492042 74.165007200164411 20.934044209525780 20.676048565977858 3.299908788746238 0.023016853477776 0.021300607142468 0.052324901817109 0.285284292309917 0.283312726860574 0.492485602187296 
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-   74600 1486.406147788977250 -5114.666876828783643 -5128.450841492401196 13.783964663617875 -74.731976024450404 -5091.954484121739370 -36.138475585623262 -0.357881785038576 78.467543277116647 20.932101001498715 20.673943019117424 3.296133866449762 -0.039761571331594 -0.038986428851979 -0.076322020243820 0.236188956905281 0.217573224644578 0.326388376532043 
-   74700 1488.383390620001592 -5114.661982003208323 -5127.875088817259893 13.213106814051411 -75.438211360906919 -5091.386200261494196 -36.125665788457709 -0.363222767307923 75.217838703064061 20.926949495062658 20.668943189838462 3.288504657976451 -0.061673114530763 -0.059321780706936 -0.059290535702486 0.161443463387275 0.117936994772386 -0.759128408405068 
-   74800 1490.529328646021895 -5114.665344727129195 -5127.988286073647032 13.322941346517974 -75.410758232346410 -5091.522725044550498 -36.101290472395689 -0.364270556700575 75.843090300842007 20.920180550101630 20.662531315821909 3.288714267212598 -0.070983266090255 -0.066992705667526 0.062056269319922 0.021771655426382 0.003900591925487 -0.748760406849726 
-   74900 1492.812961279007141 -5114.658492020087579 -5127.671542135234631 13.013050115147003 -74.635587510087419 -5091.156043175780724 -36.158596765887125 -0.356902193567409 74.078982208416136 20.913269975507724 20.656063478309669 3.297374102288332 -0.064477056566898 -0.059825660181941 0.088256585083659 -0.129565760455122 -0.128007106131724 0.553675807045621 
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-   75300 1500.921558335016016 -5114.660958954699709 -5127.899947536612672 13.238988581912782 -75.630717676291255 -5091.438012926673764 -36.096661260339019 -0.365273349599823 75.365175031131614 20.908696211032797 20.651954279863254 3.286652348336884 0.050222764660310 0.046555605476967 0.031541969453154 -0.208082190089136 -0.187620529766852 -1.102108604814930 
-   75400 1503.045282561972272 -5114.659244091876644 -5127.494080594860861 12.834836502984519 -74.845927386889969 -5090.970389509759116 -36.164693204575357 -0.358997880525292 73.064471168508945 20.914674895277788 20.657609429950234 3.294592175747798 0.067490209203383 0.064716183674348 0.095975828711236 -0.099287729669516 -0.097731498811093 0.305757543050927 
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-   75600 1507.077092716994230 -5114.662220283383249 -5127.632902433947493 12.970682150563983 -74.412011099894940 -5091.163494533886478 -36.114967584143422 -0.354440315918366 73.837795425395981 20.928368556911106 20.670580156986102 3.300591726238971 0.058725709195186 0.054912409635964 -0.058690398887345 0.176039808405466 0.170566916153758 0.617903846465604 
-   75700 1509.265514365979470 -5114.665435876035190 -5128.115802961294321 13.450367085258886 -75.095435559783908 -5091.644862322549670 -36.109656504800476 -0.361284133944648 76.568482806792233 20.933104634164220 20.674958475172449 3.292042601505440 0.034751920062703 0.030757365289997 -0.094077684807659 0.242092583435704 0.245738920941347 -0.272629405542687 
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-   75900 1513.238867647014558 -5114.664485622059146 -5127.886985338716840 13.222499716657763 -75.163267714567596 -5091.423321671029044 -36.102382982564308 -0.361280685122991 75.271309385102811 20.933538239232515 20.675078955825132 3.291538189569463 -0.030887718419430 -0.030191768673724 0.098706469299022 0.259750009757727 0.239568028707285 -0.434318560899183 
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-   76400 1523.828292949998286 -5114.665690578043723 -5127.717692361176887 13.052001783133260 -75.289754494494531 -5091.246820090536858 -36.108766695026446 -0.362105575613481 74.300721146959333 20.905595238102045 20.648878089477822 3.290143460667502 -0.023023491133850 -0.019303806128004 0.087006381832630 -0.256461680389864 -0.253429183276026 -0.585538770446946 
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-   76600 1527.946135107020382 -5114.659054143400681 -5127.240778199115084 12.581724055714609 -74.258448391212681 -5090.889088831375375 -35.996682085624258 -0.355007282115144 71.623585879347473 20.907360262312022 20.651178560457140 3.302492215267771 0.039331226161499 0.039569232493448 -0.001078763540345 -0.206483235861912 -0.194465834623856 0.411314310365554 
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-   76900 1534.120300736976787 -5114.662222880465379 -5127.594965588147716 12.932742707682380 -75.450065751847461 -5091.147522038694660 -36.082931359943494 -0.364512189509098 73.621818748955448 20.925878284317204 20.668865055482371 3.288480298436056 0.063488090449024 0.058809151690626 0.056853551510519 0.118558837628219 0.096981326364650 -0.875995025800951 
-   77000 1536.146427449013572 -5114.669659068424153 -5128.256704944365993 13.587045875942199 -74.714946851852361 -5091.757306612731554 -36.142044231189814 -0.357354100443889 77.346549871293249 20.931321265526734 20.673892251275159 3.296327412162133 0.043050628189515 0.039200595202231 0.072578133717505 0.225387919659828 0.231554826266234 0.361983472477257 
-   77100 1538.132794382981956 -5114.663627182885648 -5127.767621003004024 13.103993820118662 -74.334734511505161 -5091.366877456814109 -36.045891091890596 -0.354852454298799 74.596694585064952 20.934201223429742 20.676413283207914 3.301386550601113 0.013089801062604 0.010263503752035 0.024254088985008 0.277349043696582 0.269053543127856 0.498482727630519 
-   77200 1540.194990151969250 -5114.662281320192960 -5128.357909220008878 13.695627899816223 -74.416987570214047 -5091.871295818786166 -36.131635582181090 -0.354977819042106 77.964671352694054 20.933960978880901 20.675941618295063 3.299963670896360 -0.018327558412690 -0.019711625070816 -0.056631733528674 0.299989875126272 0.266052980980121 0.747239205254342 
-   77300 1542.144737051974516 -5114.664735385563290 -5127.736628437802210 13.071893052239099 -75.206833734096847 -5091.307907817283194 -36.066322703024326 -0.362397917494450 74.413955550666046 20.930591420519693 20.672524549289630 3.291735753127223 -0.047556241000929 -0.047996957660744 -0.080132829713328 0.208398433666066 0.202478155713525 -0.605217838295822 
-   77400 1544.287042063020635 -5114.657665347188413 -5127.828757155924905 13.171091808736595 -75.430583871357356 -5091.380047648632171 -36.084894623965745 -0.363814883326681 74.978661200198687 20.924851808695308 20.666858000975225 3.288748792570938 -0.064743434875922 -0.062508482358786 0.027138164335550 0.090249988459016 0.061126133503031 -0.892220653274651 
-   77500 1546.247766578977462 -5114.672071369350306 -5128.551326048065675 13.879254678715576 -74.866690586755624 -5092.046556097380744 -36.145810507992536 -0.358959442693053 79.009997757088698 20.918065399483453 20.660411748786078 3.294377911631233 -0.068757203096884 -0.063842304337277 0.064021581035873 -0.018232145085378 -0.076761346022690 0.167802023634138 
-   77600 1548.193790314020589 -5114.661287321232521 -5127.476085542823057 12.814798221590529 -74.491454183968969 -5091.048316709118808 -36.071611728844260 -0.356157104861185 72.950399872560823 20.911623758991926 20.654576189524342 3.299731733165435 -0.057689717945205 -0.051107995769610 0.038716552260132 -0.153600258952535 -0.157687292171354 0.393062812624930 
-   77700 1550.207883182971273 -5114.665451336330079 -5127.959141818944772 13.293690482614446 -74.396206784162700 -5091.478416367013779 -36.126063675243643 -0.354661776686510 75.676574825414150 20.906924698566428 20.650523518796170 3.300527297844158 -0.034847545212475 -0.028790329790218 -0.027950594187186 -0.234747415830799 -0.227957455397433 0.722411811037855 
-   77800 1552.318650012020953 -5114.661437880403355 -5127.656649772464334 12.995211892061191 -74.944801416621686 -5091.225946800150268 -36.070588165596440 -0.360114806718032 73.977435115389454 20.904879713178421 20.649050168461290 3.294242162146930 -0.004923380444087 0.000593890250249 -0.079435234736310 -0.295915679879487 -0.262725001813734 -0.230619344432418 
-   77900 1554.332144030020572 -5114.661143824268947 -5127.741363156074840 13.080219331805500 -75.343510436423244 -5091.313844394457192 -36.064336143824178 -0.363182617793490 74.461354301182169 20.906090688867458 20.650601729766695 3.289773486967645 0.028301005156694 0.030222801795029 0.000779895938677 -0.250050909339799 -0.223488298168402 -0.858646400034220 
-   78000 1556.500035802018829 -5114.662781194753734 -5128.130226170397691 13.467444975643822 -75.068240524477744 -5091.632842052516935 -36.136859789738651 -0.360524328141734 76.665701577702094 20.910278617640145 20.654821439942424 3.292447072050150 0.054121480528690 0.052782664378534 0.037864578878461 -0.173068998800913 -0.158658734109885 -0.164917453505739 
-   78100 1558.657485437986907 -5114.663086407816991 -5127.722080920219923 13.058994512403354 -74.641477137541955 -5091.284771548072968 -36.079727405786997 -0.357581966359814 74.340528437533322 20.916530031562498 20.660804764287192 3.297740845248620 0.068437817980957 0.064827969837456 0.060763456996583 -0.042044344083040 -0.038069913900176 0.201078218443646 
-   78200 1560.662468235008419 -5114.660521088114365 -5127.639873931594593 12.979352843480040 -74.363177637542378 -5091.163377012168894 -36.121601373247323 -0.354895546178029 73.887154806984441 20.923387567788932 20.667281316420773 3.300737316855278 0.066558440179017 0.062160849085717 -0.010998891813404 0.079158423611024 0.105345437742276 0.782666489954228 
-   78300 1562.728344369970728 -5114.663525184532773 -5127.787711004888479 13.124185820356084 -74.747683616369869 -5091.356653299379104 -36.072698360895075 -0.358359344614453 74.711640951451358 20.929364738994256 20.672764666220534 3.296766063189766 0.051087455700627 0.045538782962366 -0.053004606926558 0.175534778052349 0.214540125471789 0.047065175459625 
-   78400 1564.674252669967245 -5114.666815467669039 -5127.915932261145826 13.249116793476590 -75.133671869805028 -5091.472894786329562 -36.081757107517561 -0.361280367299282 75.422831583407941 20.933252057067492 20.675959031928151 3.292228593926814 0.024828244062368 0.016714496606908 -0.027557415558393 0.265718518216205 0.280140701641648 -0.485547137763865 
-   78500 1566.633063944987953 -5114.661670077406598 -5128.041372276145921 13.379702198739729 -75.130481180422137 -5091.574459889963691 -36.105755542602921 -0.361156843578363 76.166211023859560 20.934135077393105 20.676088630930149 3.291938001758822 -0.006853432975665 -0.014042457056405 0.018716894659096 0.285735943313880 0.245242150452784 -0.368914939602534 
-   78600 1568.661378693999723 -5114.667544848963189 -5128.167092242445506 13.499547393482294 -74.779357916272374 -5091.665249800804304 -36.143655179091226 -0.358187262550918 76.848450004770328 20.931837549941864 20.673261890748083 3.295624889491049 -0.037697753657606 -0.041640992334124 0.040862280417606 0.223474238589798 0.201953549823141 0.281287584587570 
-   78700 1570.672932226967532 -5114.660949882987552 -5127.944146288789852 13.283196405802009 -74.607283550176419 -5091.512512367798990 -36.074698483098516 -0.356935437891287 75.616835523513103 20.926905449256591 20.668151226022601 3.298296431716417 -0.058771950120412 -0.058406309758778 0.013716841645003 0.124998621350852 0.098550577384801 0.219785676796383 
-   78800 1572.623934038972948 -5114.667234816841301 -5128.359221266377972 13.691986449536751 -74.654109785610046 -5091.869378391631471 -36.132526216286422 -0.357316658459859 77.943941782909960 20.920458814617348 20.661964705507767 3.297460770755725 -0.067579727137694 -0.063096010070342 -0.035453613536996 0.015000816172548 -0.020440616056673 0.408449263918074 
-   78900 1574.605373750964645 -5114.667238342392011 -5128.245578027295778 13.578339684904138 -74.990919269632315 -5091.764479956272226 -36.120864775693946 -0.360233295329376 77.296988410659139 20.913779997960813 20.655911265009109 3.293517538117482 -0.063221189303651 -0.055013198261883 -0.034960779907469 -0.131482660053659 -0.148923981248635 -0.103974494466872 
-   79000 1576.570795578998514 -5114.658545166093063 -5127.565032699779294 12.906487533686589 -75.166525928393156 -5091.083989346023372 -36.120024107087836 -0.361019246668948 73.472356743499162 20.908429844681091 20.651362067520871 3.291726361449047 -0.042799070069437 -0.034200778076871 0.006543135913836 -0.188125906219110 -0.234216047835592 -0.399344523839089 
-   79100 1578.543028220010456 -5114.660126725273585 -5127.761340325360834 13.101213600087695 -74.981502903928671 -5091.310434382761741 -36.090786897675301 -0.360119044923655 74.580867713702204 20.905532193585895 20.649389633813694 3.293501753216976 -0.013212288009854 -0.004972278094587 0.026779453623487 -0.281661755571973 -0.276313747105748 -0.212378542323270 
-   79200 1580.596439055982046 -5114.660103134447127 -5127.645099441468119 12.984996307021397 -74.691761754084297 -5091.177299708213468 -36.110103437658893 -0.357696295595275 73.919281174867052 20.905733781745386 20.650410941298198 3.296775459829387 0.016520005279161 0.024112680042275 0.026897126430575 -0.255617589621091 -0.212423850138017 0.272941943341324 
-   79300 1582.544852247985546 -5114.663411050186369 -5127.952558108918311 13.289147058731505 -74.679284179474010 -5091.489412112952778 -36.106302262464425 -0.356843733501860 75.650710618789915 20.908847895508252 20.653972426575226 3.297601493833518 0.044375282905129 0.047244336911690 -0.005688971556870 -0.203739164154421 -0.199567269549133 0.231865530774327 
-   79400 1584.522381388000213 -5114.669771044628760 -5128.419829260164079 13.750058215534990 -74.839836613343664 -5091.912526037407588 -36.148564618281867 -0.358738604473867 78.274525103663294 20.914257893088436 20.659534296695920 3.294917908870472 0.061350377883366 0.061315307957165 -0.049708010030923 -0.088260488222121 -0.059292439204878 0.221637440511827 
-   79500 1586.600783684989437 -5114.658125537103842 -5127.378270047132901 12.720144510029087 -75.153340233808450 -5090.894207359402571 -36.122470015313141 -0.361592672416429 72.411567657770618 20.920706727967517 20.665728946235678 3.291436887711207 0.065549849621968 0.060363957312308 -0.010096324639560 0.032447376058479 0.074209291662401 -0.325951800495732 
-   79600 1588.551824815978762 -5114.665754229307822 -5128.312111522467603 13.646357293159353 -75.096529420707071 -5091.766056371392551 -36.186397768835860 -0.359657382238662 77.684190115656193 20.926959434323038 20.671184918807405 3.292039180370101 0.057306783419688 0.046537359044438 0.017660562163051 0.145756242317542 0.188761115987706 -0.048417920020709 
-   79700 1590.501941744005308 -5114.659187660491625 -5127.758622826428109 13.099435165936255 -74.931341032746289 -5091.310086139545092 -36.088927052279665 -0.359609634603407 74.570743677392684 20.931601747494824 20.674658608487434 3.294391311477983 0.033902505512362 0.021724682455946 0.032893072907403 0.226885148521438 0.226338556808177 -0.169064064367054 
-   79800 1592.483594709017780 -5114.668505219112376 -5128.083373646264590 13.414868427151925 -74.586243914975228 -5091.620675129175652 -36.105629542453102 -0.357068974637370 76.366400709277883 20.933616515796100 20.675545830282566 3.298067816260311 0.005391982421968 -0.004516170255878 0.027893520655138 0.278698964906476 0.253487193786938 0.457033021746449 
-   79900 1594.445943910977803 -5114.663198402265152 -5127.678703915687947 13.015505513422829 -74.703300111186664 -5091.214463941034410 -36.107268531306424 -0.356971443347322 74.092959977162124 20.932603139967686 20.673689192682396 3.297333958287096 -0.025148222225233 -0.032268372235405 -0.038610842646867 0.259042202282732 0.235179600336661 0.187266648746492 
-   80000 1596.400411917013116 -5114.661310088660684 -5127.194790258106877 12.533480169445914 -74.981770252931852 -5090.744896070393224 -36.090021494585983 -0.359872693127818 71.348949421258098 20.928732598607223 20.669321841723782 3.293851300933656 -0.050359756584370 -0.053308623728001 -0.023985660346846 0.170880650628422 0.121955719707109 -0.229812413141436 
-   80100 1598.410671079007443 -5114.668147376561137 -5128.166442560818723 13.498295184257806 -75.067111213747467 -5091.655432101309998 -36.149791038280881 -0.361219421227458 76.841321592596302 20.922871854951868 20.663454420059317 3.292065365698702 -0.064741786541566 -0.061765161993425 -0.013420257251762 0.063313035128677 0.012428046299104 -0.057431846281192 
-   80200 1600.429291924985591 -5114.669869580342493 -5128.281126197181948 13.611256616839752 -75.166758868110222 -5091.869728101562941 -36.049780160928933 -0.361617934689492 77.484373596579204 20.916329904956019 20.657470524432942 3.292305068282244 -0.063215891631336 -0.055341284371558 0.029065618790486 -0.076856856704945 -0.120404449399948 -0.683642014434033 
-   80300 1602.383288990997244 -5114.663672300711369 -5128.096464631707931 13.432792330996229 -74.578356874696112 -5091.555398891387085 -36.185395310966591 -0.355670429354522 76.468435554470872 20.910549722284660 20.652773457729424 3.297959496191141 -0.050126049490424 -0.037457465488322 0.054290531121323 -0.172998768164947 -0.191902355571034 0.703959429707542 
-   80400 1604.408183668972924 -5114.657403609176072 -5127.246166685609751 12.588763076433926 -74.568336673065048 -5090.849612883807822 -36.039286107412138 -0.357267694390116 71.663656691802416 20.906662179593521 20.650256639419144 3.298820223391287 -0.026300579447101 -0.011735082342902 -0.023422479332370 -0.243568517727931 -0.253818577953531 0.189724102705359 
-   80500 1606.421473119000439 -5114.665004909325944 -5127.802507657997921 13.137502748672089 -74.789779633212376 -5091.338116535833251 -36.106471652292768 -0.357919469870489 74.787449811562013 20.905469287210018 20.650470447649084 3.296235596334980 0.003329981442123 0.015950154654459 -0.027451218516443 -0.271078771775119 -0.225389029393438 0.092769524171168 
-   80600 1608.416458742984105 -5114.667367111013846 -5128.078324460593649 13.410957349579524 -75.037188971510147 -5091.569729285578433 -36.148630876376473 -0.359964298638815 76.344136240660774 20.907331992926729 20.653283213771363 3.292798639099860 0.032976714112527 0.039708882870416 -0.036226759365961 -0.221345552869404 -0.192723978946367 -0.054893294280661 
-   80700 1610.460030775982887 -5114.662863986814045 -5127.556975565541507 12.894111578727875 -75.181440935671276 -5091.134988900614189 -36.059380704953043 -0.362605959974435 73.401904532903927 20.911853404099780 20.658118725999167 3.291333341157312 0.056165566812383 0.055368431954954 0.016495055140937 -0.162373824225927 -0.096070685770066 -0.595853934239916 
-   80800 1612.399782940978184 -5114.668158708244846 -5128.175531971188320 13.507373262943556 -74.848728880674798 -5091.677777603676077 -36.139642490428216 -0.358111877084425 76.893000086377370 20.918097273643092 20.663958753865959 3.295371598097095 0.065797244926585 0.058538730966906 0.049291204080039 -0.004792520352438 0.033972215716228 0.095008387521344 
-   80900 1614.359699766966514 -5114.663351021665221 -5128.029621561234308 13.366270539569106 -74.590412145963143 -5091.581999406602336 -36.090452244199597 -0.357169910431518 76.089749039011608 20.924591623047647 20.669445211092501 3.298248199093241 0.062113249852521 0.049712707694581 0.005805984628417 0.099344207036972 0.119109621603435 0.344707013333056 
-   81000 1616.321823865000624 -5114.664918889410728 -5127.625099171294096 12.960180281883572 -74.681616848076672 -5091.194047253016834 -36.073046052859141 -0.358005865418230 73.778011766972526 20.930012551488858 20.673467788518668 3.297097590675619 0.044292832649824 0.029197621756627 -0.026469286094326 0.203633778924493 0.217207695030116 0.141739045368747 
-   81100 1618.270400915993378 -5114.668718353553231 -5128.121796952809746 13.453078599256488 -74.995074644964049 -5091.610524637980234 -36.152332116655501 -0.358940198174550 76.583918557473964 20.933191646108252 20.675024840681228 3.293483263357126 0.017796348641549 0.001466157793696 -0.041181444406097 0.277782867564133 0.251971863561790 -0.006382661190136 
-   81200 1620.222892578982282 -5114.662913905460300 -5127.675538034343845 13.012624128883402 -75.272581206969107 -5091.246308636660615 -36.066257596171425 -0.362971801510885 74.076557209775302 20.933447395214788 20.673736178849541 3.290534785539355 -0.012540765204990 -0.027320162481707 -0.003475637342009 0.262023293165485 0.263101869640477 -0.725963850343565 
-   81300 1622.190911968005821 -5114.664235396706317 -5127.927228527076295 13.262993130370171 -74.955935233654856 -5091.461015427850725 -36.106101107438860 -0.360111991786528 75.501824971181122 20.930778055924549 20.669810663859149 3.293799054623507 -0.039883466525379 -0.048843107408083 0.054723185473786 0.218040023115498 0.130458793888041 -0.105413797436075 
-   81400 1624.153432903985959 -5114.665153506703064 -5128.125154046665557 13.460000539962309 -74.617643889053198 -5091.638739584043833 -36.129970521811117 -0.356443940810298 76.623322872208547 20.925744238537440 20.664357179712447 3.298083485388761 -0.058678983687013 -0.058194029802533 0.020853850029254 0.113341092588618 0.024086041196287 0.403665224470259 
-   81500 1626.122188556008041 -5114.661330224019366 -5127.632142755011955 12.970812530993006 -74.553212890002840 -5091.198796151929855 -36.076275340718112 -0.357071262363163 73.838537637974625 20.919462347870905 20.658650448999150 3.298689733979629 -0.063905984613841 -0.054113743209154 -0.010853880993225 -0.030777295098958 -0.068920182027462 0.338163209626924 
-   81600 1628.092891667969525 -5114.655572228688470 -5127.257716946658547 12.602144717969988 -74.819702003039481 -5090.762897995040476 -36.136055453335402 -0.358763498282741 71.739833942831027 20.913293665628188 20.653901505935004 3.295257331625698 -0.057486790156511 -0.039625853317458 -0.054296541466799 -0.121245389568979 -0.140897665127626 0.206143219671305 
-   81700 1630.040417133015580 -5114.664431014203728 -5127.821478871466752 13.157047857263301 -75.235646918518739 -5091.357650489107982 -36.102219157329500 -0.361609225028474 74.898713638165177 20.908401924543860 20.651015477640048 3.290925547609256 -0.037983354620926 -0.016219085967390 -0.014551050567939 -0.241037837212097 -0.235753787522315 -0.569738366989130 
-   81800 1631.984333558997605 -5114.667728858900773 -5128.528368824749123 13.860639965847946 -75.124759687980429 -5092.056898361696767 -36.110139665950065 -0.361330797102913 78.904030365037329 20.906057322045442 20.650771261526536 3.291883057571964 -0.008293173507169 0.011039300857919 0.031596645062580 -0.268395059578359 -0.234293577026089 -0.318214433463595 
-   81900 1633.952397138986271 -5114.667295937160816 -5128.086413246108350 13.419117308947600 -74.755340803909007 -5091.641614402088635 -36.086625144388691 -0.358173699630661 76.390588185400887 20.906704823965679 20.653142832677894 3.296411398837782 0.021273160905423 0.035163505779091 0.049816883844954 -0.259359109793835 -0.186349638641310 0.064494403419254 
-   82000 1635.904076465987600 -5114.663070360701568 -5127.653429048826183 12.990358688124820 -74.485741831782349 -5091.166713309770785 -36.131344780382797 -0.355370958672151 73.949807433571976 20.910214067658615 20.657626216524910 3.299595430598002 0.047307330222911 0.052484797089131 0.003667559364225 -0.185677497190934 -0.093733575259502 0.612428524772384 
-   82100 1637.860519194975495 -5114.668095107932459 -5128.091942272289089 13.423847164356806 -74.658621279145962 -5091.640143282122153 -36.093762591637926 -0.358036398529676 76.417513684926860 20.915749491449191 20.663174675407753 3.297276783923110 0.061570289813531 0.056882709004863 -0.043448978533943 -0.081448932632188 0.015293280469561 0.267852693566226 
-   82200 1639.828236708010081 -5114.662229151953397 -5127.773572342058287 13.111343190104495 -75.065365626845377 -5091.287842218214792 -36.125169664765956 -0.360560459077534 74.638532113054637 20.922143261258423 20.668560937396094 3.292675947253302 0.063086043856445 0.049394667088735 -0.038683444141965 0.055359369017475 0.117210734502148 -0.198338159740383 
-   82300 1641.802656996995211 -5114.666447674538176 -5127.999340881313401 13.332893206775369 -75.272568820476721 -5091.526177141197877 -36.111108894766907 -0.362054845348908 75.899742943567958 20.928000362316556 20.672632454127431 3.290668422652229 0.051986660808286 0.030446188743568 0.006235841031227 0.146853264087859 0.199895156318962 -0.576507924506313 
-   82400 1643.788425880018622 -5114.661492904013357 -5127.796416870553003 13.134923966539413 -74.899851134197689 -5091.343476450008893 -36.093148181325276 -0.359792239218751 74.772769659404332 20.932166328483696 20.674412455034084 3.294520705122633 0.029370423487192 0.003871605507752 0.060777111731452 0.248812530263409 0.241889373694090 -0.068654012506931 
-   82500 1645.949621956970077 -5114.665527131004637 -5127.979074614511774 13.313547483507335 -74.530725028016377 -5091.504859730116550 -36.118451446114179 -0.355763438280710 75.789614151539908 20.933685054179300 20.673480805111200 3.298997740824332 0.000198179299925 -0.022354570443100 0.017156106042840 0.266286355815350 0.220612482119493 0.501010218769376 
-   82600 1648.014121319982223 -5114.663801739126029 -5128.026262882533956 13.362461143407984 -74.541752864020381 -5091.551942256503025 -36.118323279458572 -0.355997346572172 76.068063408975021 20.932301626830576 20.670176056706733 3.298715974454114 -0.026986056936301 -0.041940108658872 -0.023696508301816 0.225468587950826 0.138456587100381 0.485270736304397 
-   82700 1650.076983337989077 -5114.662912130405857 -5127.674649815704470 13.011737685298625 -74.919514103137658 -5091.218107973515544 -36.096639267740088 -0.359902574448738 74.071510980185437 20.928360250286381 20.665358174834477 3.294371547457021 -0.050874122275328 -0.052764660718700 -0.054235901939756 0.170905939881774 0.061204106585005 -0.095791838072071 
-   82800 1652.131552045990247 -5114.660654018188325 -5127.577845008821896 12.917190990633225 -75.269087347451944 -5091.117071207006120 -36.098513979497419 -0.362259822319092 73.533287977122512 20.922598428280835 20.659953366466457 3.290567925166351 -0.062105357210920 -0.053295059141557 -0.010282269331031 0.069581718589738 -0.049231503268888 -0.629188858825187 
-   82900 1654.090909618011210 -5114.667359901847703 -5128.293892377445445 13.626532475597372 -75.066372121764090 -5091.806007105119534 -36.127006841806633 -0.360878430520046 77.571333998568804 20.916237174964106 20.655158042807841 3.292515050673996 -0.062002489490706 -0.040693544799073 0.040480854370158 -0.076183803711168 -0.145011269436299 -0.179268493617378 
-   83000 1656.039161854016129 -5114.667842691206715 -5128.150913878355823 13.483071187149013 -74.700166670549166 -5091.693785331527579 -36.099168489590483 -0.357960057237903 76.754656421788226 20.910637263340327 20.652167194847678 3.296793400635852 -0.047472182884395 -0.018294632568069 0.034188067382118 -0.208607191164572 -0.195016576832325 0.223158678721140 
-   83100 1658.041984317998867 -5114.660080073739664 -5127.881751975915904 13.221671902176219 -74.563279270563669 -5091.397220406895030 -36.128686563086788 -0.355845005933920 75.266596911569891 20.907103665719816 20.651643663903311 3.298639498652253 -0.022443140023477 0.007836823965079 -0.002903744687086 -0.248214407147931 -0.215431838810805 0.497876640944569 
-   83200 1660.005361361021642 -5114.666398314028811 -5128.180665260733804 13.514266946704746 -74.754592250019215 -5091.702154442811661 -36.120266617510815 -0.358244200411170 76.932243543689594 20.906325269870234 20.653551150293172 3.296048999810259 0.007053367746457 0.029786495172312 -0.044615694380044 -0.241538633720221 -0.161229055284214 0.220863088541000 
-   83300 1661.950972274004016 -5114.661408796628166 -5128.141804476626930 13.480395679999045 -75.163708564786560 -5091.673781299751681 -36.106231836558187 -0.361791340317376 76.739425646158594 20.908382801438723 20.657433474339367 3.291523488051752 0.034274648542749 0.046773003509825 -0.030628659102827 -0.230993115675024 -0.109701671852147 -0.394610214359346 
-   83400 1663.939059721014928 -5114.662500024882320 -5127.796323686636242 13.133823661753842 -75.216485531102805 -5091.300473365092330 -36.134591857517371 -0.361258464027119 74.766505988864921 20.912939334734972 20.662583443879338 3.291125211592086 0.055692614902565 0.054101679894579 0.022432375994170 -0.153020375987902 0.003206327972438 -0.396709472032745 
-   83500 1665.898714066017419 -5114.659158659800596 -5127.455726889480502 12.796568229680270 -74.865533087658889 -5090.990100681606236 -36.106142264479793 -0.359483943394059 72.846622569435880 20.919076357087988 20.667746699370731 3.294807789422214 0.064505344055391 0.047455264263126 0.043010471825091 -0.014555762837293 0.092958673554874 0.027866476119581 
-   83600 1667.842033766966779 -5114.665068813196740 -5127.942659708717656 13.277590895521238 -74.621410971024304 -5091.483895071081861 -36.101829153285522 -0.356935484350030 75.584925210966546 20.925391522351383 20.671732080549610 3.297927865934609 0.058995863419803 0.031107025374342 0.014376612702781 0.107084446827349 0.156137502889831 0.313334279508860 
-   83700 1669.812329912965652 -5114.658888714761815 -5127.470685710034559 12.811796995272980 -74.661451899927727 -5090.929799253810415 -36.184887466242827 -0.355998989981441 72.933314885642773 20.930511939408781 20.673730857250057 3.297292558266120 0.041705075656169 0.008495021041796 -0.037581198500851 0.201249610351646 0.199381214307538 0.574933106713513 
-   83800 1671.758525314973667 -5114.666172446201927 -5128.126587441089214 13.460414994887229 -75.073831613849151 -5091.704298251028376 -36.060567588609160 -0.361721601451100 76.625682226759380 20.933331228679300 20.673352448150460 3.292460863991051 0.013193192288852 -0.016166187499740 -0.035002113971738 0.257012993630736 0.217831263508540 -0.424476868478832 
-   83900 1673.711414634017274 -5114.663727476851818 -5128.110513607536632 13.446786130684846 -75.233838150284157 -5091.581224156288954 -36.167948890566322 -0.361340560681315 76.548097619012879 20.933221948279773 20.670584694228808 3.290494816654662 -0.015229597473358 -0.038031380511228 -0.007640906944699 0.249206006109056 0.153368871178916 -0.278916921604692 
-   84000 1675.701928115973715 -5114.664315329802776 -5128.064877802982664 13.400562473180301 -75.162820860311840 -5091.588309750596636 -36.115513151622864 -0.361054900763158 76.284961653840398 20.930271965809442 20.666029430791863 3.291787587570679 -0.042599616221721 -0.051176824181977 0.038990333471852 0.190239771271557 0.065398006265150 -0.405239004224905 
-   84100 1677.683638047019485 -5114.673416056954920 -5128.581003009604501 13.907586952649586 -74.699393144179965 -5092.091951934391545 -36.130789206882483 -0.358261868330542 79.171284004210619 20.925021788648937 20.660723750993409 3.296256627678832 -0.060785125177101 -0.052159361854536 0.035976970868759 0.107673691524637 -0.069155120610234 0.371534400077980 
-   84200 1679.723839551967103 -5114.660226237563620 -5127.409100891875823 12.748874654311972 -74.678801340578588 -5090.897137550573461 -36.155644930412613 -0.356318410890214 72.575118848947525 20.918646705715112 20.656052415863865 3.297294684235350 -0.063922182725596 -0.039656744508486 -0.020261736817048 -0.041012136963419 -0.146205125489003 0.434198592089352 
-   84300 1681.889117943996098 -5114.660386467957323 -5127.663972553613348 13.003586085655945 -74.898181317933080 -5091.160874229735782 -36.144551870544760 -0.358546453332553 74.025106624591871 20.912584077927121 20.653040323939944 3.294529792250199 -0.055464035398089 -0.020343694849896 -0.027310991971257 -0.137792087161717 -0.167260541338875 0.095769204235483 
-   84400 1683.919198637013324 -5114.659567165338558 -5127.734089537741056 13.074522372402418 -75.117207743051978 -5091.225189813395446 -36.147175924718823 -0.361723799626867 74.428923399085534 20.907994645610042 20.652144653219288 3.291326749635416 -0.034487948772908 0.003084353532477 -0.030028990279829 -0.222123307479058 -0.210204969583128 -0.100570343635129 
-   84500 1686.026271498005372 -5114.663500665472384 -5127.594561758596683 12.931061093124129 -75.306803361280629 -5091.145123404819969 -36.087487099684303 -0.361951254091868 73.612245874507124 20.905920181648231 20.653639941410940 3.290438310124583 -0.005577648481078 0.026500475592062 0.026402700921548 -0.271269337267041 -0.178634698909948 -0.731460979203845 
-   84600 1687.968245401978493 -5114.661563020546964 -5127.785822744987854 13.124259724440567 -74.871852876515703 -5091.265598025187501 -36.162126450643832 -0.358098269156084 74.712061662914934 20.906890801990389 20.657174509278970 3.294752106565209 0.024495605817235 0.043315070426809 0.042690956741297 -0.256371003572388 -0.126457943964384 0.190802404475400 
-   84700 1689.917082968982868 -5114.658079196946346 -5127.014159255592858 12.356080058646764 -74.672476781603876 -5090.599368296232569 -36.056225853754071 -0.358565105606514 70.339069375044744 20.910713251797841 20.662010245860785 3.297104924257866 0.050489379704467 0.050903631711317 0.005356351986735 -0.185577342666382 -0.001966507747629 0.138079186114809 
-   84800 1691.894244117022026 -5114.661573698983375 -5127.840292229759143 13.178718530775997 -74.712980326762363 -5091.294310418312307 -36.189631827264634 -0.356349984181907 75.022077601523989 20.916591428237322 20.666959791463764 3.296616387096176 0.064779790146583 0.045708124365652 -0.020722249897685 -0.054338134429471 0.114140854629965 0.497718577172746 
-   84900 1693.862835283973254 -5114.668925320833296 -5128.579017040408871 13.910091719575775 -75.070478543941050 -5092.095713313032320 -36.122492893046982 -0.360810834329853 79.185542812323973 20.923103854026149 20.670942017877298 3.292598247722924 0.063411721346961 0.033154212016936 -0.041305697379093 0.064430868041454 0.160418330772606 -0.211481742806048 
-   85000 1695.810574439004995 -5114.665992617243319 -5128.033418355906178 13.367425738662988 -75.201402146565314 -5091.568753629292587 -36.102251591477497 -0.362413135136509 76.096325204658058 20.928931909141159 20.673222759764922 3.290911559621289 0.050955827033521 0.011676835010831 0.010710563632265 0.174851954903430 0.215009066319572 -0.439591254526687 
-   85100 1697.880943274009041 -5114.658362634816513 -5127.409906509901703 12.751543875085586 -74.969073064025679 -5090.875687219417159 -36.176005115615382 -0.358214174869463 72.590313838319673 20.932825815502071 20.673150750770610 3.293818611820273 0.025843297810917 -0.013653950963319 0.039739371436831 0.228236057691678 0.217584935593132 0.094307642952887 
-   85200 1699.911042695981450 -5114.663351534204594 -5127.401692526733314 12.738340992528597 -74.723443392791793 -5090.948915201215641 -36.094801669933958 -0.357975655582653 72.515154202924080 20.933987456798352 20.670627529841870 3.296533474158676 -0.003840456037003 -0.035355208697038 0.016849220809030 0.270903140701584 0.147660258808250 0.169844059970728 
-   85300 1701.905261063016951 -5114.671631262999654 -5128.065552802733691 13.393921539733924 -74.692632794672306 -5091.603963519854005 -36.103541492750274 -0.358047790129586 76.247157020317246 20.932119521724236 20.666412901415644 3.296529719848267 -0.032916449026497 -0.047160382967968 -0.020988043445869 0.231906520756350 0.048868388916489 0.276875632517893 
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-   86200 1719.648796354013029 -5114.659918192830446 -5127.595863201351676 12.935945008520795 -74.889500497648129 -5091.085568570360920 -36.151888505828552 -0.358406125161695 73.640048386491301 20.920604790981805 20.669771304782014 3.294486196811696 0.068647873809076 0.033871790473183 0.035982009899545 0.019736488512665 0.158136572786833 0.128706199477827 
-   86300 1721.698915120970923 -5114.664227963767189 -5127.747175941340174 13.082947977573188 -74.785196955875236 -5091.251863604850769 -36.137443300360289 -0.357869036128452 74.476887577354091 20.927139692145655 20.672219277659195 3.296110672135881 0.060614064234480 0.014079237324542 -0.004263158796541 0.115563606972830 0.205405201841499 0.234719878007841 
-   86400 1723.766839238000102 -5114.661554715004968 -5127.683912604923535 13.022357889918313 -74.849287516078050 -5091.229128781393229 -36.095264892745234 -0.359518930784625 74.131968285898552 20.932269675574538 20.672496076460970 3.295308152551145 0.039581317926770 -0.008547879766892 -0.008822566078237 0.230462480689736 0.201958111233445 0.042022243311760 
-   86500 1725.748263101966586 -5114.664575669234182 -5127.939879218249189 13.275303549014593 -74.918755350907844 -5091.403235898635103 -36.178310702849508 -0.358332616765628 75.571904105255669 20.934726088003298 20.670575695920828 3.294223142985059 0.008858506032771 -0.028757461303873 -0.017861320738178 0.277582348220623 0.148384392333123 0.191419664311987 
-   86600 1727.778647093975451 -5114.661871572308883 -5127.761890318538462 13.100018746229358 -75.072415525812431 -5091.322787866233739 -36.078146805178349 -0.360955647126397 74.574065806621988 20.933960811839690 20.667025538730037 3.292549388389856 -0.023866012816615 -0.040553982995697 -0.005151379634138 0.271054841459134 0.078626695125185 -0.389723818769194 
-   86700 1729.756370029994287 -5114.659573277021991 -5127.437701037331863 12.778127760309985 -74.938630014096105 -5090.930954021930120 -36.146959322786977 -0.359787692615582 72.741647087876331 20.930197341805481 20.662571444024348 3.293741744070904 -0.049814549887505 -0.046840130615200 0.017626554980791 0.173623139886360 -0.008079568377006 0.083270367229849 
-   86800 1731.799760771973524 -5114.667462971843634 -5128.576373462047741 13.908910490204107 -74.888830754240374 -5092.045686666508118 -36.172563721496573 -0.358123074043661 79.178818464931666 20.924227420300596 20.658074276261047 3.294866243403347 -0.067823538656664 -0.041018004087039 0.003413185536617 0.077550531229267 -0.114742331222445 0.200781361144222 
-   86900 1733.933669527992606 -5114.664574973607159 -5127.965170482522808 13.300595508915267 -74.821680653849455 -5091.528639625602409 -36.077176543069207 -0.359354313851338 75.715882852045951 20.917245910241952 20.654732292944438 3.295490727785486 -0.069242431589939 -0.024538845638682 0.016176870139134 -0.076338113940723 -0.176536967258476 -0.019418153548234 
-   87000 1736.041628107021097 -5114.666884779566317 -5128.121464031795767 13.454579252229870 -74.799162829562960 -5091.638916529931521 -36.123934905877832 -0.358612595987451 76.592461277584349 20.910909208337230 20.653273962817895 3.295441538892606 -0.056102934461906 -0.003645645138005 -0.022372339801703 -0.164280141232245 -0.204161265001521 0.187953964338084 
-   87100 1738.127948189969175 -5114.669392762581083 -5127.842892833564292 13.173500070983078 -75.056618425411102 -5091.372646623020046 -36.110599280337169 -0.359646930207316 74.992370639148959 20.906509019013885 20.654001319724465 3.293475268441117 -0.030177446158851 0.017183605308419 -0.009900147695360 -0.262399759028658 -0.172192108124896 -0.300204549713181 
-   87200 1740.194018191017676 -5114.663684593931066 -5127.925337160574600 13.261652566643813 -74.877797596619843 -5091.415216061877800 -36.150622415690002 -0.359498683007738 75.494193586105723 20.905034024114276 20.656563257320407 3.294146021835986 0.001597397431486 0.033276495178354 0.010530501333430 -0.286852804925020 -0.117675795165404 0.227675919443100 
-   87300 1742.232398086984176 -5114.662676060574995 -5127.889057721326935 13.226381660752093 -74.917077069152697 -5091.422185261040795 -36.107427790136555 -0.359444670149913 75.293408006483148 20.906813648636412 20.660427099339802 3.294247696405347 0.033009760887801 0.043187327448108 -0.004421355467382 -0.251989082581154 -0.061093182460308 -0.072081618401142 
-   87400 1744.298319016001187 -5114.666725475142812 -5127.884624824262573 13.217899349119577 -74.918510635136727 -5091.418014335346925 -36.107955027507913 -0.358655461407337 75.245121017118521 20.911508078509396 20.664785876554884 3.294710822045289 0.059183481861868 0.042419815463882 0.013709611333322 -0.161906082318068 0.036984155657092 -0.124797776583805 
-   87500 1746.333414949011058 -5114.664121701304794 -5128.477212213150779 13.813090511846360 -74.772177732586670 -5091.981371225296243 -36.136539688859230 -0.359301298995426 78.633347079732573 20.918141735815190 20.668672089746924 3.295445309058965 0.071025575069525 0.033512184408951 -0.008652734624624 -0.040057586375371 0.129725249916912 0.340794812118559 
-   87600 1748.350537716993131 -5114.666981778180343 -5127.891069707789029 13.224087929609123 -74.991270635489244 -5091.466431449728589 -36.064403423686727 -0.360234834372736 75.280350555153333 20.925234870733970 20.671203277973429 3.294145926381177 0.067811948217544 0.015978857892817 -0.001500804801037 0.110548337035506 0.178796151084603 -0.360858851738206 
-   87700 1750.353611072001513 -5114.664756012000908 -5127.631217412675142 12.966461400674088 -74.847650977006367 -5091.121296438294848 -36.152737564221091 -0.357183410159523 73.813768094890605 20.931130734884146 20.671851090200587 3.295351376827453 0.048227710145521 -0.003102577717646 0.012355078481695 0.224782240069427 0.173814020794697 0.163101367415525 
-   87800 1752.377388403983787 -5114.667612263994670 -5128.242956601477999 13.575344337483477 -74.790600238707967 -5091.785060066536971 -36.098307305013819 -0.359589229927635 77.279936890353000 20.934608819150018 20.670522896981101 3.295153148791098 0.019966116989255 -0.023453305913306 -0.014673416537626 0.288438884457050 0.161284562483013 0.157866943833694 
-   87900 1754.355883095995523 -5114.665075941861687 -5127.984933316973184 13.319857375111358 -74.939374303757859 -5091.531346276968179 -36.094818189447693 -0.358768850556861 75.825534273550915 20.934950391962573 20.667413951353218 3.294646471309121 -0.013234052813824 -0.038011761661871 0.013914962572759 0.278757191186207 0.115541751919972 -0.192668937726447 
-   88000 1756.313185293984134 -5114.661676699307463 -5128.340635962932538 13.678959263625073 -74.801205284225546 -5091.801783347068522 -36.181294638294183 -0.357557977569902 77.869782330296033 20.932091055133849 20.663185904684802 3.295549543547207 -0.043101314345540 -0.044628451211342 -0.008135175835841 0.232674455934179 0.000652975419608 0.361625373282356 
-   88100 1758.446998485014774 -5114.663750979589167 -5127.889903236041391 13.226152256452007 -74.915864395003737 -5091.492396665844353 -36.036301653639605 -0.361204916557270 75.292102083819799 20.926598441711420 20.658919301226081 3.294398862174899 -0.064460919458641 -0.038472349970984 0.000506913496232 0.129421656329904 -0.111855836976972 -0.260813950842755 
-   88200 1760.430001572996844 -5114.664802063405659 -5128.254666985953918 13.589864922548387 -74.833310776647636 -5091.718007554397445 -36.179447794349471 -0.357211637206571 77.362597769482875 20.919617987756347 20.655751796148991 3.295419493059704 -0.072361116620671 -0.024981754424344 0.006664741128510 -0.019127605863826 -0.124681475161132 0.269165099343524 
-   88300 1762.400154269009363 -5114.667850509379605 -5128.169863766578601 13.502013257199122 -74.909916114005028 -5091.713236243504070 -36.097126065569157 -0.359501457505067 76.862487349804042 20.912695439435147 20.654097255323709 3.294325755327704 -0.063916688253177 -0.007118432304963 -0.022055043568143 -0.150288025237672 -0.168620695916816 -0.085654832603081 
-   88400 1764.469471314980183 -5114.669684173542009 -5128.086116828591912 13.416432655049682 -74.985367835062121 -5091.649707204448532 -36.075290069002293 -0.361119555140908 76.375305340366111 20.907296439416218 20.654299336303151 3.293483743253255 -0.042559689510709 0.011585555027438 0.005171500109138 -0.240615715317635 -0.162911776606797 -0.210021133971993 
-   88500 1766.415104176965542 -5114.663071812664384 -5128.034835776095861 13.371763963431842 -74.884281277946087 -5091.503497049106045 -36.174469729976352 -0.356868997013441 76.121021280722047 20.904636254299607 20.656357098598985 3.295133578021947 -0.009723707726080 0.029276650535505 0.019704266656433 -0.304657281280595 -0.141123749645036 0.160073520690578 
-   88600 1768.419369040988386 -5114.672539225730361 -5128.313514985825350 13.640975760094689 -74.783445910346515 -5091.881403914791917 -36.073320755722563 -0.358790315311459 77.653554831182248 20.905411739771747 20.659895192219395 3.295960435954122 0.025221682581950 0.040220500096765 0.003169562945095 -0.309887498323693 -0.061699837210944 -0.004866086960796 
-   88700 1770.386783064983319 -5114.653902025440402 -5127.165260559553644 12.511358534112814 -74.719841403228088 -5090.770398618527906 -36.035197556866478 -0.359664384158895 71.223018281689647 20.909516347493870 20.664031592278306 3.296494714561204 0.054518681992573 0.040647988232079 0.010230844903221 -0.187549496668990 0.031747253908227 0.001015652168380 
-   88800 1772.336667762021534 -5114.666907955388524 -5127.858354800779125 13.191446845390177 -74.841318297481976 -5091.340929771729861 -36.160423269474528 -0.357001759575143 75.094535678877378 20.915867913476244 20.667841710608002 3.295789902001687 0.070730134964562 0.033866203069785 -0.029331537384570 -0.083559640747505 0.088925517688025 0.159432168366417 
-   88900 1774.281143155996688 -5114.665132646729035 -5127.790235011612822 13.125102364883343 -74.979029332792749 -5091.367743996408535 -36.061530417754206 -0.360960597450147 74.716858535732314 20.923137964207193 20.670554165388499 3.293728697665653 0.071454412421103 0.018856802565666 -0.001583335114966 0.086099640480122 0.154424719428232 -0.304383688327202 
-   89000 1776.261539802013431 -5114.665521444610022 -5128.008739646742470 13.343218202132206 -74.866376834215558 -5091.546855160536325 -36.102450795022321 -0.359433691184299 75.958519720770312 20.929611150946499 20.671473778172878 3.294634351616110 0.056101227973160 -0.000970158626920 0.013255035736436 0.194088922693199 0.191950835178674 0.032634583612831 
-   89100 1778.210063314007130 -5114.668239210458523 -5127.927079841590057 13.258840631131539 -74.894092327498569 -5091.432383664559893 -36.137078793314586 -0.357617383715821 75.478186169017363 20.934039852281209 20.670347693451873 3.295109768448465 0.031318937276580 -0.020654450312422 -0.006638819134989 0.269715748923839 0.132901529389913 -0.008361734216480 
-   89200 1780.219661373004783 -5114.665787837030621 -5127.875362282753485 13.209574445722637 -74.780569598625775 -5091.451216424448830 -36.064804712474199 -0.359341145831113 75.197730100679124 20.935510220662980 20.667561466570962 3.295840823846655 -0.002931958136422 -0.033891238091218 0.022022340367732 0.324749261328216 0.078639484973593 0.024471504888598 
-   89300 1782.175654084014241 -5114.663003297720934 -5127.550667620997046 12.887664323276182 -74.710829772921585 -5091.079704341230354 -36.113344006212657 -0.357619273554051 73.365202444025996 20.933509727802150 20.663879425843582 3.296665744365429 -0.035889841654043 -0.039497915765366 -0.009509977733058 0.251575172581689 0.042080060254616 0.254513737244934 
-   89400 1784.127540792978834 -5114.663395850886445 -5127.578698604424062 12.915302753537663 -74.971778959600726 -5091.141398823436248 -36.078550138905214 -0.358749642082665 73.522538869037191 20.928599715505875 20.660017368449996 3.294708290215983 -0.061139352193955 -0.036088466267248 -0.016678337120951 0.169722129861058 -0.038848530307168 -0.345646713415707 
-   89500 1786.097679041966330 -5114.660370288990634 -5127.598597611030527 12.938227322039827 -74.814954515004928 -5091.128019315980055 -36.110488428710966 -0.360089866339777 73.653040841071459 20.921739141198298 20.656814973814992 3.294854489392054 -0.073577073714059 -0.026482667996590 0.009275282697704 0.033085846383934 -0.108623560948703 0.176717180551078 
-   89600 1788.057895737001672 -5114.667250531804711 -5127.802235625535104 13.134985093730345 -74.963921753271961 -5091.350206323688326 -36.092198459102704 -0.359830842744474 74.773117636246766 20.914459891401293 20.654851779937992 3.294100114517532 -0.069616729125551 -0.011563703646039 -0.017618702821815 -0.099996682919346 -0.156638312328896 -0.209206087772461 
-   89700 1790.017135794973001 -5114.670429412183694 -5128.123144152374152 13.452714740190503 -74.953903206952958 -5091.652280493504804 -36.112483244892275 -0.358380413978007 76.581847228382244 20.908287854256137 20.654755931251085 3.294652131089825 -0.050397080056530 0.009332189931370 0.030968027638770 -0.259841893406870 -0.136980034778390 -0.178753669166933 
-   89800 1792.172071425011382 -5114.660719506056921 -5127.668485010564837 13.007765504507555 -74.665749631967060 -5091.196486694684609 -36.113288437417523 -0.358709878463183 74.048898671192035 20.904734234108542 20.656479988252332 3.296348923938103 -0.020126998347384 0.024623439735634 -0.008100163252265 -0.296234118271954 -0.123050433871584 0.437108273205172 
-   89900 1794.110085196967702 -5114.669695176086861 -5128.160443879569357 13.490748703482621 -74.919181192745455 -5091.736614663464934 -36.064536376362369 -0.359292839741262 76.798361978198884 20.904465093617414 20.659622603296384 3.295011812983669 0.015416578685732 0.036144920607344 -0.005194099745727 -0.328845404161980 -0.052369539135235 -0.281671753007321 
-   90000 1796.063494434987660 -5114.664207253852510 -5127.686392057653393 13.022184803800858 -74.876618690048716 -5091.179463060340822 -36.149297205742414 -0.357631791569856 74.130982963986938 20.907615268849042 20.663371021656655 3.295190361602483 0.046185772288708 0.037766344503506 0.001985852095415 -0.244864988882573 0.005052692662265 0.089847481002463 
-   90100 1798.028440981986932 -5114.669904164640684 -5128.350398207800026 13.680494043159083 -74.864187341979132 -5091.929714264195354 -36.059613925513020 -0.361070018091774 77.878519321607655 20.913402913478652 20.666973828706073 3.294519712520684 0.067250908950758 0.033185563474993 -0.010832377806031 -0.126703479176996 0.070610346896212 -0.076662286394862 
-   90200 1799.965906630968675 -5114.662845197364732 -5127.660177650754122 12.997332453389516 -74.940683378523090 -5091.208400068340779 -36.092698668230668 -0.359078914181674 73.989506768347283 20.920613116753060 20.669601932845342 3.294642386847726 0.074490289032225 0.018346088855852 0.014338126998578 -0.005002412488876 0.132405340075266 -0.223181839662053 
-   90300 1801.919582254020497 -5114.664065556689820 -5127.813175104053698 13.149109547363768 -74.771480830853989 -5091.302108342818428 -36.153881420624131 -0.357185340610989 74.853523470402124 20.927710159886598 20.670608457100514 3.296215001467911 0.064151460310372 0.001367460729598 0.006701559082709 0.165447486926536 0.146469495777809 0.288424245470879 
-   90400 1803.876008420018479 -5114.666507959649607 -5127.921750821315072 13.255242861665073 -74.808548947497854 -5091.552639766185166 -36.008247809745200 -0.360863245383932 75.457705259627318 20.933095412733341 20.669862032295239 3.295515106313049 0.041437133418607 -0.015613613746998 -0.008925594793796 0.261528560274877 0.130392189971275 -0.223223423473868 
-   90500 1805.812234889017418 -5114.666312353359899 -5127.583193732514701 12.916881379155045 -74.870294006102029 -5091.086398891377030 -36.139377007704937 -0.357417833433554 73.531525461572301 20.935570993518823 20.667597074662961 3.295379039381876 0.007608286670445 -0.028797228496819 -0.002122389828268 0.307723213188379 0.085427880679260 0.062540019366367 
-   90600 1807.749388833995908 -5114.661600357785574 -5127.728861209236129 13.067260851450484 -74.921835173468139 -5091.245176086416905 -36.124563898624942 -0.359121224194747 74.387585966535553 20.934562198101570 20.664252473646528 3.294356924940339 -0.027841132482072 -0.037133485805629 -0.014756580733577 0.296930471086570 0.037352764160607 -0.025981023315105 
-   90700 1809.742666821985040 -5114.665911290824624 -5127.903956686951460 13.238045396126408 -74.932820081221124 -5091.479951069622985 -36.062568604077768 -0.361437013250556 75.359805786990563 20.930307507227742 20.660463712971492 3.293568379537819 -0.055724406649990 -0.036436638690934 0.003419912618390 0.206939176698975 -0.054266222762276 -0.171329433338576 
-   90800 1811.690367211995181 -5114.657288520286784 -5127.643908657724751 12.986620137438038 -74.984523410164513 -5091.145360905323287 -36.139875545652529 -0.358672206748835 73.928525103344953 20.923782954934548 20.657261109276916 3.293898478452304 -0.072136361653775 -0.026832136825236 0.000344831331010 0.093240095455999 -0.103890267774859 -0.108367859026942 
-   90900 1813.633342122018803 -5114.674970177441537 -5128.282800460453473 13.607830283012124 -74.892158006511380 -5091.789930174259098 -36.134169004280452 -0.358701281914039 77.464868613472930 20.916350348416323 20.655386716272535 3.294676997839816 -0.073246318067470 -0.010094768745097 0.010460895415428 -0.073861100440788 -0.157557785156774 0.068283965913195 
-   91000 1815.655960501986556 -5114.660428079318990 -5127.755169113865122 13.094741034546184 -74.787000386554269 -5091.307059501836193 -36.088272315668547 -0.359837296360414 74.544021542869871 20.909688292572991 20.655269617629504 3.295542126753844 -0.056953646862096 0.007714074870395 0.007288113822624 -0.212473123363828 -0.143158745963083 0.137431087608530 
-   91100 1817.632101894007064 -5114.667465894547604 -5127.818129285334180 13.150663390786592 -74.872695068647104 -5091.345585945944549 -36.114516308733826 -0.358027030655489 74.862368986115627 20.905270000494184 20.656777882391086 3.295408333324417 -0.029749973385599 0.022068748102216 -0.005952107531916 -0.283494555373822 -0.109583011866341 -0.052679015228435 
-   91200 1819.603302019997500 -5114.665212111572146 -5127.883790305809271 13.218578194237015 -74.897581467910285 -5091.373606188551094 -36.151308451033657 -0.358875666224081 75.248985457425135 20.903955113379496 20.659565743267798 3.294341812843513 0.004314412519921 0.032442427572035 -0.019529832555772 -0.316073075293636 -0.065808827759948 0.132036063526550 
-   91300 1821.716094369010534 -5114.664123496087086 -5127.653124471417868 12.989000975331141 -75.035827702057830 -5091.253555160978067 -36.037675121776601 -0.361894188663277 73.942078424538963 20.906127315618903 20.663028159769400 3.292799022902124 0.038597064333465 0.035742623641881 0.000143759189744 -0.270209560390602 -0.002485846681141 -0.457196708435088 
-   91400 1823.836121382017154 -5114.671832551495754 -5128.348206662481971 13.676374110985773 -74.933941512878221 -5091.817036563827969 -36.173138253822117 -0.358031844832174 77.855065912955112 20.911286769878409 20.666450996463361 3.294331563353852 0.062983671998518 0.031588726485606 0.016500418914493 -0.177795262698893 0.074190632777035 0.114076904456237 
-   91500 1825.876336105982773 -5114.668237810001301 -5128.462158877012371 13.793921067011450 -74.813057156208146 -5092.013037281594734 -36.089735557235841 -0.359386038181172 78.524221782411416 20.918362001819094 20.669080178849821 3.295694678323396 0.075520188328875 0.020235917503263 0.012250427289766 -0.032174154686549 0.109526087664442 0.063237442767720 
-   91600 1827.879854744998738 -5114.665901984580159 -5128.316180375209115 13.650278390629209 -74.667910193358523 -5091.894307697919430 -36.063768229234412 -0.358104448055899 77.706511624229250 20.925708752243604 20.670306637236131 3.297190663272630 0.068960870812616 0.003873157008757 0.017951715443478 0.118327518262892 0.117838045917726 0.111766557505151 
-   91700 1829.842418338987045 -5114.667752893311444 -5128.101680403899081 13.433927510587537 -74.744821287001059 -5091.562167343072360 -36.183245397184294 -0.356267663643024 76.474897755722978 20.931676820907406 20.669922758557917 3.296416312947194 0.047769084879087 -0.012483857552009 -0.039201301858497 0.232355994833867 0.157533435954593 0.408024419616690 
-   91800 1831.799078868993092 -5114.658009187403877 -5127.340841743497549 12.682832556093265 -75.110852434495683 -5090.985299568274058 -35.992612691059932 -0.362929484163288 72.199163067969209 20.934976747380919 20.667846600659367 3.292609072252835 0.016979680852159 -0.027960709773931 -0.009511614934628 0.287790346849316 0.108996159120287 -0.740996641450137 
-   91900 1833.789722036977764 -5114.662588899500406 -5127.692671261849682 13.030082362349473 -74.879146667616766 -5091.147995099613581 -36.185796937329030 -0.358879224907214 74.175941147812864 20.934978587022435 20.664505803989282 3.294150584599141 -0.016817440555747 -0.037139485845023 0.015988050259581 0.277440186389802 0.023483532418899 0.332710751108474 
-   92000 1835.741014246013947 -5114.667717549000372 -5128.237517382469377 13.569799833469032 -74.959803778504238 -5091.819944824446793 -36.058239847972715 -0.359332710049130 77.248373866265169 20.931743604455907 20.660749356938506 3.294672638795753 -0.047015394763305 -0.036197029405100 0.013126718585295 0.228270597356508 -0.079020696961709 -0.390420980260903 
-   92100 1837.672833915974479 -5114.666480917942863 -5128.293556519929552 13.627075601986757 -74.609431528446066 -5091.841304978130211 -36.094620541533530 -0.357631000264424 77.574425837129340 20.925920117335064 20.657642189277773 3.297666500153019 -0.067455263024380 -0.025817740175550 0.032447975170361 0.123243667747905 -0.086679720922703 0.345922128956320 
-   92200 1839.637014971987810 -5114.669708959023410 -5127.969854524391849 13.300145565368174 -74.660454757574868 -5091.490681736220722 -36.121789075682635 -0.357383712487961 75.713321472528861 20.918790455332857 20.655676780485429 3.297286199402502 -0.073175884817099 -0.012669745802009 -0.043594514608343 0.005464647836574 -0.132095143974680 0.369153296101790 
-   92300 1841.586830866988748 -5114.664620528857085 -5127.970628117079286 13.306007588222137 -75.067948652731900 -5091.564199484224446 -36.045652769437723 -0.360775863416631 75.746692026154761 20.911787615487643 20.655218804367014 3.293465221277841 -0.063045500149211 0.003505403792009 -0.011450190726398 -0.179305337686144 -0.138746457907302 -0.558086998149010 
-   92400 1843.531076626968570 -5114.662525398271100 -5127.463895721887639 12.801370323616354 -74.874160734935828 -5090.929165749495951 -36.175836577666921 -0.358893394724482 72.873959298957899 20.906638161661178 20.656334872454831 3.294140352913783 -0.038850673025226 0.019012081663633 0.003495875376712 -0.245267440364196 -0.133322430526922 0.323238357837124 
-   92500 1845.512387812021188 -5114.664760233518791 -5127.864777284466982 13.200017050947940 -74.980858236625551 -5091.449578948493581 -36.054759946369742 -0.360438389604304 75.143323019233279 20.904351197025246 20.658900143837268 3.293917218399407 -0.005584260211719 0.031003281462796 0.005264185585439 -0.319313786760960 -0.063408160785843 -0.359487138623616 
-   92600 1847.627103708975483 -5114.662558021352197 -5128.073633152758703 13.411075131406252 -74.723947657088956 -5091.598785204067099 -36.117875534485933 -0.356972414205652 76.344806733571303 20.905558726897567 20.662249583614990 3.296901040565973 0.028939429660160 0.034553105172209 0.040843197308181 -0.272677189071766 -0.000516173879436 0.179541058686137 
-   92700 1849.575683416973334 -5114.665367236380007 -5128.239783105211245 13.574415868831325 -74.554558598269665 -5091.724407703515681 -36.158916327614719 -0.356459074080583 77.274651425980295 20.909911252579757 20.665627092528641 3.297996240688464 0.056068771074848 0.031701865256721 -0.030298149399683 -0.184256582129912 0.063984353248227 0.668689692167291 
-   92800 1851.591432231012732 -5114.673698806472203 -5128.475283376374136 13.801584569901523 -75.018230035840787 -5092.093978371351113 -36.019865214610292 -0.361439790413263 78.567847564931625 20.916342362523658 20.668363683175087 3.293750731330329 0.070362382304023 0.021508094477629 -0.025817265951840 -0.060511442249150 0.133098768567299 -0.526383496112773 
-   92900 1853.537727034999989 -5114.661646397885306 -5127.686207173453113 13.024560775567947 -74.974448218419198 -5091.115442908245313 -36.212292362837701 -0.358471902370324 74.144508583938020 20.923461126767329 20.669750347511684 3.293389888952619 0.069540131062883 0.005866874087078 0.000443048692846 0.064681637488346 0.150876619846608 0.249199563834011 
-   93000 1855.584504929021932 -5114.659848084088480 -5127.411950005752260 12.752101921663368 -75.077216620565252 -5091.043929127547017 -36.005936361268482 -0.362084516936555 72.593490612568687 20.929733486328722 20.669449973662370 3.292965691347917 0.053213567814403 -0.011621343946333 0.009461793760337 0.183756878997194 0.153676978248873 -0.680027080770664 
-   93100 1857.559292235993780 -5114.662498506078919 -5127.938503154361570 13.276004648282274 -74.679076989272616 -5091.502861479624698 -36.077757863911629 -0.357883810825764 75.575895231065331 20.933799321747504 20.667511661345397 3.297430482417900 0.026664485341710 -0.026547211273198 0.063719736595662 0.266704750282709 0.102012639302761 0.147335916041830 
-   93200 1859.510856444016099 -5114.669998952863352 -5128.186777744837855 13.516778791974383 -74.426696854394919 -5091.673523983405175 -36.159110485317214 -0.354143276115379 76.946542646466668 20.934907872123709 20.664458845466864 3.300054219977957 -0.004940166192953 -0.033170153260339 -0.025012520894623 0.295816645865381 0.014312615332257 0.792607974989779 
-   93300 1861.465368698001839 -5114.664304010346314 -5127.920084939848493 13.255780929502551 -74.806406925449920 -5091.573560864550927 -35.986414878066974 -0.360109197230275 75.460768301528091 20.932816328745794 20.661088196439422 3.296078262449451 -0.036460860467047 -0.033422053665173 -0.032444244954457 0.260086415179064 -0.015365940891782 -0.355209408442102 
-   93400 1863.444220473989844 -5114.663888869380571 -5128.119073135195322 13.455184265814454 -74.983904130587803 -5091.571297598708043 -36.188539428345315 -0.359236108142018 76.595905419439774 20.927843607146261 20.658006098833809 3.293315416383514 -0.060279220379371 -0.027160899166303 -0.035257848477312 0.135777360346525 -0.095191947037154 0.176003514282644 
-   93500 1865.481519207998645 -5114.660604445779427 -5127.585494813547484 12.924890367768208 -75.243822015747782 -5091.140137647422307 -36.083336775818594 -0.362020390307192 73.577117979831442 20.921176317538784 20.655839484559610 3.291159741848114 -0.071778617778402 -0.015380659778827 0.011876406797488 0.041363018626715 -0.143468795887361 -0.651786757905023 
-   93600 1867.450649661011994 -5114.663515044227097 -5127.988145383628762 13.324630339401411 -74.829409897344078 -5091.546016214980227 -36.082580161512794 -0.359549007135985 75.852705177650691 20.914194014191160 20.655142024866688 3.295231766833801 -0.065321359219456 0.001527687315763 0.056996767704535 -0.101891334185260 -0.166423650505421 -0.010817577559532 
-   93700 1869.407477048982400 -5114.669133550205515 -5128.031214527509292 13.362080977303876 -74.519262594871975 -5091.549529948455529 -36.126053221811233 -0.355631357242794 76.065899249318889 20.908514896333863 20.656165223781965 3.298941558094810 -0.045893938894715 0.017862057892690 0.005831545230316 -0.217580010138921 -0.120990680993363 0.540156186539105 
-   93800 1871.379382170969620 -5114.664505229544375 -5127.971373223586852 13.306867994042795 -74.699996614540851 -5091.516208621434089 -36.097680542278660 -0.357484059874308 75.751590031381554 20.905329030943619 20.658548478813419 3.297133481489191 -0.016514494598110 0.028998303944067 -0.033160255882532 -0.279044830968117 -0.072778875894907 0.175543991162530 
-   93900 1873.337091472989414 -5114.668463945767144 -5128.285703658265447 13.617239712498066 -75.015196406218536 -5091.854768236415111 -36.069563238666241 -0.361372183183439 77.518433377560726 20.905290781297047 20.661741359529518 3.293147067115684 0.015585019448225 0.032843839246341 -0.034647586487091 -0.277409225605154 0.003642070883423 -0.293895817785704 
-   94000 1875.285248333006166 -5114.662576135350719 -5127.625662983477014 12.963086848126061 -75.178209753418201 -5091.119923169921094 -36.145184186106007 -0.360555627450034 73.794557885450487 20.908351922715159 20.664988811890225 3.291420242201261 0.044315018868755 0.030896353424008 -0.000906615047535 -0.213887575597548 0.050911858360904 -0.325778668813914 
-   94100 1877.380391708982643 -5114.668082150521514 -5128.153603086069779 13.485520935548635 -74.998386956363049 -5091.710121681382589 -36.083490455355324 -0.359990949330786 76.768602027661174 20.913932901873004 20.667656602648560 3.293796944640596 0.065008188958077 0.021179574868438 0.051254667869301 -0.099477680543752 0.118982138703844 -0.295551308252923 
-   94200 1879.382820763974451 -5114.664212605719513 -5127.676249834967166 13.012037229248090 -74.527315029531024 -5091.236564413855376 -36.082004654748388 -0.357680766364118 74.073216184630724 20.920728101082315 20.669047641565403 3.298466124450787 0.069199391493249 0.006104738465429 0.026784221295954 0.017318008190359 0.137065396420807 0.447441964793123 
-   94300 1881.363228433008771 -5114.657657640588695 -5127.455538507039819 12.797880866451129 -74.606204777244955 -5090.964620273446599 -36.135052463560925 -0.355865770031961 72.854094975607694 20.927352237827087 20.668904743011993 3.298312243146431 0.060965128397413 -0.008477712551543 -0.030291366926894 0.146812349106718 0.124711047094528 0.441278373139784 
-   94400 1883.352739310008474 -5114.664764209920577 -5127.823871038299330 13.159106828379171 -74.958525232641762 -5091.362299604244981 -36.101940478173404 -0.359630955880346 74.910434678452461 20.932320702818419 20.667387270044035 3.294255780858967 0.036796289674561 -0.021436468881595 -0.038503038471613 0.230668461831769 0.107333925485861 -0.155516449505622 
-   94500 1885.339261884975713 -5114.669416855732379 -5128.108591726122540 13.439174870389923 -75.137526471936326 -5091.666807315516962 -36.079305038436885 -0.362479372169011 76.504769236275393 20.934567871191366 20.664753510867058 3.291482355801762 0.006678744877329 -0.031110364261763 -0.012899977504367 0.284375068351932 0.072680485628617 -0.417534491649504 
-   94600 1887.294328629970551 -5114.661092350987929 -5127.453795910136250 12.792703559148162 -75.076320468928031 -5090.964681335291971 -36.129371393581671 -0.359743181262307 72.824622280721385 20.933587652398810 20.661442024287460 3.292912757398779 -0.026035348351038 -0.034018048155525 0.040212036325704 0.265667220484050 -0.032293759344506 -0.253321639624234 
-   94700 1889.306519727979321 -5114.663121649329696 -5127.805857895457848 13.142736246127864 -74.658118446556387 -5091.348546133874152 -36.099907469676950 -0.357404291906767 74.817242378368690 20.929608151892904 20.658270678600232 3.297367234435717 -0.051570961038274 -0.028391815954277 0.042596515581498 0.176623027869347 -0.099572713122322 0.262878782706060 
-   94800 1891.264514247013722 -5114.657741327198892 -5127.188801848137700 12.531060520939155 -74.510477024201762 -5090.742290090705865 -36.089547117730390 -0.356964639702307 71.335175164101102 20.923633480920916 20.656065724783222 3.298697347186132 -0.066182604667495 -0.014974297816500 -0.019782439677564 0.064709462253519 -0.133538175209002 0.484694882039268 
-   94900 1893.220254321000539 -5114.664541168041978 -5127.919131014066807 13.254589846025006 -74.889641566799440 -5091.435072803115872 -36.125906120641147 -0.358152090309197 75.453987857976344 20.916856617528147 20.655338978692061 3.295195775076165 -0.067187492132436 0.001075242249146 -0.037498185274048 -0.056532188425504 -0.160136400296020 -0.023753983587016 
-   95000 1895.320539193984587 -5114.664854563331573 -5128.373463506204644 13.708608942872756 -75.133649924328950 -5091.919355951889884 -36.092153079434468 -0.361954474879717 78.038568129323863 20.910732638353238 20.656234398516638 3.291873094488519 -0.053520020887531 0.015840574684809 -0.021522373706426 -0.166222085746579 -0.130606421271483 -0.404585600237531 
-   95100 1897.276925648970064 -5114.673344653207096 -5128.679299473874380 14.005954820667512 -75.064864247694388 -5092.210146925327535 -36.107596102322226 -0.361556446224881 79.731259680958203 20.906562850272188 20.658424969634961 3.292465430378690 -0.028437199069608 0.027015703891585 0.026649219844111 -0.246423329643899 -0.076307544813998 -0.215163908203533 
-   95200 1899.268413361976855 -5114.660520104317584 -5127.755844655795954 13.095324551478358 -74.771098067562136 -5091.260523560162255 -36.138705597660710 -0.356615497973107 74.547343311406408 20.905317308306429 20.661406875553016 3.296810175774584 0.003624096555467 0.031660180004779 0.053992407689864 -0.258236844033360 -0.021790959280500 0.192713376646130 
-   95300 1901.232780809979886 -5114.663542347819202 -5127.957827746722614 13.294285398903339 -74.415883416416847 -5091.500193858393686 -36.101462677393314 -0.356171210935507 75.679961486711122 20.907196885652358 20.664512433448003 3.299612381593957 0.034032577618216 0.029347234037537 -0.007296858985233 -0.256210306979098 0.042546890969788 0.656536949575291 
-   95400 1903.196335614018608 -5114.663575830770242 -5127.910828882682836 13.247253051912338 -74.790443197836936 -5091.479505585566585 -36.072345568368974 -0.358977728747407 75.412221920265353 20.911883780302801 20.667128537055373 3.295834934425026 0.056770294477225 0.021888303952763 -0.055513325751519 -0.124364776746183 0.103458875652413 -0.022032678906454 
-   95500 1905.210859315993730 -5114.670011342543148 -5128.013502599900676 13.343491257357520 -75.241239108201171 -5091.503256169386987 -36.149519543333156 -0.360726887180924 75.960074133686504 20.918156512503597 20.668660632649804 3.291273118325296 0.066660394267525 0.008689264797785 -0.029899532665889 -0.019147425903158 0.112062058176173 -0.439357112439258 
-   95600 1907.241568661003839 -5114.667604354948708 -5127.833246882766616 13.165642527817992 -75.200979652942451 -5091.443275439414720 -36.026227297061375 -0.363744146290344 74.947640249641680 20.924767563480625 20.668844350498773 3.291100569649032 0.062631329943213 -0.005710065146311 0.028769456168567 0.131836859902435 0.154064283061737 -0.699659702355773 
-   95700 1909.225861754966900 -5114.659590634317283 -5127.816497623633040 13.156906989315830 -74.732258226777134 -5091.350226010039478 -36.108434655125336 -0.357836958469448 74.897911723619231 20.930210727233217 20.667472527597024 3.296788088552903 0.044953560792305 -0.021156524406714 0.064820047017580 0.198927460244607 0.125454494500956 0.162643008139968 
-   95800 1911.288439219002612 -5114.665254622716020 -5128.211852381111385 13.546597758395722 -74.376488907270769 -5091.714037586218183 -36.144018343043349 -0.353796451849956 77.116292141277924 20.933367337385175 20.664845414728841 3.300893351075351 0.017387123559422 -0.029968220910670 0.006051216224663 0.241635585105222 0.053027723154007 0.771339612255894 
-   95900 1913.322211280988995 -5114.667829362359953 -5127.967356842780646 13.299527480421080 -74.599789721468170 -5091.587211246705920 -36.020638448855223 -0.359507147218516 75.709802919738095 20.933695118455052 20.661657718495249 3.297734926677113 -0.011203697947438 -0.032203558704326 -0.055408995054426 0.268929471158101 -0.012588907101354 0.143647400774596 
-   96000 1915.398416662996169 -5114.663943495238527 -5127.784187985638710 13.120244490400200 -75.136285469206584 -5091.303177441004664 -36.120495123090670 -0.360515421543722 74.689204266039724 20.931178405956071 20.658686971550402 3.292217866552477 -0.038193517910259 -0.026153223978995 -0.043782099842390 0.224135264974456 -0.068619134625667 -0.372979318093805 
-   96100 1917.453607541974634 -5114.667059057231199 -5127.791024749539247 13.123965692308234 -75.307412115642620 -5091.360798402294677 -36.067996263187595 -0.362230084057129 74.710387835418146 20.926267506827859 20.656555024211205 3.290571089334192 -0.058521309076447 -0.015652720439662 0.021695577481761 0.118136377944598 -0.104328571219400 -0.846215396457289 
-   96200 1919.531463072984479 -5114.660631425042993 -5127.674193405590813 13.013561980547795 -74.728688159907350 -5091.205689034381066 -36.108857490191326 -0.359646881019121 74.081896088527472 20.919900520586889 20.655705866409370 3.295801540731635 -0.066106034507421 -0.001399194771417 0.058876332031590 -0.012444644406687 -0.120204722991457 0.319684752077516 
-   96300 1921.594767741975375 -5114.664728373307298 -5128.102698788383350 13.437970415075929 -74.441906064634935 -5091.650621184705415 -36.097127322043818 -0.354950281633903 76.497912671289725 20.913538663994604 20.656284174158589 3.300387706068649 -0.059593438100624 0.012867242959597 0.035628251086443 -0.117962557409191 -0.114752307733928 0.504817822614091 
-   96400 1923.564502743014600 -5114.667281308073143 -5127.773856058414822 13.106574750341441 -74.501134839148108 -5091.307224046919146 -36.111214038397165 -0.355417973097593 74.611386965587783 20.908500355571807 20.658154864638046 3.299454477288266 -0.038615572553400 0.023982074940706 -0.053662824872069 -0.235343629702061 -0.074341645261801 0.496593040879968 
-   96500 1925.520272199995816 -5114.663308069855702 -5127.784877103054896 13.121569033198814 -75.014440754297169 -5091.413190499809389 -36.009363574169555 -0.362323029075271 74.696744449282278 20.906030985453732 20.660857566724026 3.293281007587663 -0.010060877443173 0.029374211890210 -0.048850466391092 -0.256103897274363 -0.037884022644709 -0.517294580068514 
-   96600 1927.498409166000783 -5114.664838873158260 -5127.840488618141535 13.175649744983218 -75.258132225529124 -5091.326437493466074 -36.153259105555122 -0.360792019120907 75.004608020900449 20.906522162405903 20.663861665373833 3.291129153883571 0.020189377683362 0.029676796770897 0.003792010065383 -0.269580400745013 0.020325740032582 -0.422007026395587 
-   96700 1929.446984399983194 -5114.663953213233071 -5128.030162290737280 13.366209077504022 -74.961867180947337 -5091.597329891186746 -36.072506740872385 -0.360325658678786 76.089399155841591 20.909890083001741 20.666523263408187 3.294023461612885 0.045911911439164 0.022483254487900 0.047701003517445 -0.197622980897292 0.088822341601118 -0.247215567338771 
-   96800 1931.424259794002865 -5114.662541641963799 -5127.829036436696697 13.166494794733351 -74.409714470588526 -5091.367701588094860 -36.105020418140953 -0.356314430460161 74.952491922777583 20.915361635046477 20.668165505974674 3.299605382392386 0.061482386146167 0.009756392161378 0.041523710223522 -0.076239099371243 0.129736857512098 0.688945095687223 
-   96900 1933.475418846006505 -5114.659767034635479 -5127.558467937986279 12.898700903350695 -74.534612159497087 -5091.041392541899768 -36.162783146837810 -0.354292249248502 73.428030037230300 20.921759931863217 20.668421494186877 3.299302520884329 0.064562331283876 -0.004663445786180 -0.046870468055413 0.030519995403994 0.123175784958274 0.587108026934827 
-   97000 1935.458316412987188 -5114.670187688485385 -5128.388005846232772 13.717818157747761 -74.979905710839091 -5091.962420369611209 -36.064322519690350 -0.361262956931608 78.090993137976142 20.927783808690847 20.667272557573355 3.293790823296894 0.053409013465782 -0.017929594108478 -0.045185103036254 0.183753784770392 0.103516150414375 -0.278824541853233 
-   97100 1937.459887246019207 -5114.659264353223080 -5127.400636003621912 12.741371650399270 -75.178585108532801 -5090.909631819362403 -36.129035210587219 -0.361968973672859 72.532406733921405 20.932081699203895 20.664983835998502 3.290865056777327 0.031955198706463 -0.026836968130171 -0.013158441714052 0.222684960007785 0.047036751794177 -0.301964821845864 
-   97200 1939.439679232018534 -5114.671371471853490 -5128.109815267297563 13.438443795443822 -75.144415320058854 -5091.633929335432185 -36.115850035469421 -0.360035896395517 76.500607468861446 20.933799633795967 20.662172135339635 3.292345600532225 0.001582632717608 -0.028933055161914 0.043466932886592 0.273371442638718 0.029914658179657 -0.432589773979826 
-   97300 1941.539114971004892 -5114.664811670094423 -5128.011324674484968 13.346513004390243 -74.600790183807007 -5091.559849308771845 -36.093790262527584 -0.357685103185130 75.977275938236133 20.932521833334377 20.659384803118510 3.297628408189602 -0.026699211594796 -0.024927295919223 0.045431576041393 0.244426695482111 -0.058469389985955 0.363692469018129 
-   97400 1943.526645031990483 -5114.664062201033630 -5127.978881056618775 13.314818855584990 -74.481643797841869 -5091.502720206735830 -36.119980577193445 -0.356180272689352 75.796851651487074 20.928517914967149 20.657313483694249 3.299189283344673 -0.051865487311919 -0.016412813057020 -0.018456477034708 0.166814486145147 -0.073312183436673 0.610416955335485 
-   97500 1945.567063580965623 -5114.667972895841558 -5128.170795873284078 13.502822977442408 -74.907291147532831 -5091.717331338259100 -36.094682404507111 -0.358782130518219 76.867096818834398 20.922688185643040 20.656260849787493 3.295154296144795 -0.062635824976661 -0.003434225057014 -0.045680886725473 0.064991257566337 -0.127241291853325 -0.165487907094046 
-   97600 1947.523710456967819 -5114.669437056963943 -5128.150569348104909 13.481132291140540 -75.136316382227363 -5091.658657039954051 -36.130041257712392 -0.361871050437720 76.743618929298407 20.916325782618756 20.656609808877370 3.291373958862837 -0.061907740562601 0.010148490328661 -0.028311634292911 -0.082567719021303 -0.122542445464145 -0.239045948874125 
-   97700 1949.504015001992229 -5114.662146249087527 -5127.706695888391550 13.044549639303755 -75.269558820668792 -5091.279960329890855 -36.063530821712604 -0.363204736788651 74.258298561533493 20.910738706381284 20.658243254486820 3.290532240062610 -0.047923765003942 0.021696796673092 0.022295292772709 -0.201902864467967 -0.070498117657296 -0.708893108412358 
-   97800 1951.502403037971817 -5114.667873286023678 -5127.756496528816569 13.088623242792737 -74.855922114345276 -5091.241377678576100 -36.157259960854262 -0.357858889386223 74.509194981652612 20.907140861850664 20.660808373039533 3.295115050717900 -0.023630286240779 0.028571156397457 0.048463577609990 -0.242957737850399 -0.025925735996094 0.176184491131046 
-   97900 1953.463330622995272 -5114.665680473301109 -5127.929319883407516 13.263639410106190 -74.572529795489331 -5091.453921328340584 -36.118325706582311 -0.357072848484869 75.505504027562409 20.906240993166616 20.663703082049391 3.297900950162130 0.005610046189444 0.028056910862998 0.000866165573983 -0.264870513553828 0.029472346599908 0.500740513379980 
-   98000 1955.423983073967975 -5114.662493678048122 -5127.688956637543924 13.026462959496236 -74.779016133523811 -5091.231456663756035 -36.099578263681245 -0.357921710106704 74.155337086720536 20.908219618078416 20.666259152118101 3.296191591295941 0.034090498590431 0.021568056599791 -0.026225878012053 -0.245825465451554 0.078760407028609 0.065862788151814 
-   98100 1957.389759944984689 -5114.662826152951311 -5127.836983478184266 13.174157325232818 -75.018787218388837 -5091.293059193738372 -36.184669244865901 -0.359255039579057 74.996112169800270 20.912772554549104 20.667849726852140 3.292973394181662 0.055343318185386 0.009859738953736 -0.038756001525563 -0.142881805359220 0.095900202045539 0.066346773824518 
-   98200 1959.763897302967962 -5114.666080013673309 -5127.866714926381974 13.200634912708617 -75.284036142279092 -5091.439865475264014 -36.062889446467892 -0.363960004650704 75.146840301497733 20.918960220051719 20.668207953342701 3.289916206994789 0.065678540560620 -0.002545281721862 -0.005738881970141 -0.011529034495753 0.098334776429647 -0.686814354888323 
-   98300 1961.801629374967888 -5114.671404350429839 -5128.435516323480442 13.764111973050314 -74.988255436496701 -5091.882245857472299 -36.194057684322786 -0.359212781684638 78.354528488244696 20.925295711234920 20.667305013903608 3.293293383091432 0.059411590209031 -0.015519878397271 0.055536735135871 0.083663848882775 0.082493186214308 0.152271788314900 
-   98400 1963.886083766003139 -5114.666900665014509 -5128.018920847844129 13.352020182830051 -74.763542890917620 -5091.557917302661735 -36.103205705107115 -0.357797840075892 76.008626480196028 20.930567279685622 20.665302789041604 3.296605002837963 0.043073369302516 -0.024175025847920 0.014490742274653 0.222628468413720 0.063324759165167 0.104398029426665 
-   98500 1965.860873094992712 -5114.659219619140458 -5127.317159154704314 12.657939535563690 -74.599642136024613 -5090.855926906457171 -36.103469143929047 -0.357763104318727 72.057455350823190 20.933532292499955 20.662599877931726 3.297758972872728 0.016250026615760 -0.028940203717869 -0.001964735665313 0.256030464981865 0.017744724316029 0.416828514586244 
-   98600 1967.853770818968769 -5114.666935504807043 -5127.962853589826409 13.295918085019625 -74.895932319497746 -5091.451491908957905 -36.153157021606539 -0.358204659261111 75.689255827752618 20.933674165067117 20.659801014708680 3.294626380374995 -0.013432975809472 -0.026124329909636 -0.052605541780426 0.261930708718975 -0.046803860333212 0.115931521689996 
-   98700 1969.953598913969472 -5114.666296013567262 -5128.077039518158927 13.410743504591707 -75.292094023800388 -5091.593264660154091 -36.121685470929428 -0.362089387074936 76.342918892006338 20.930943176075356 20.657547078352810 3.290301798140042 -0.039959445215804 -0.017641618429462 -0.016532874161221 0.200880522047771 -0.117404397893782 -0.554215866910558 
-   98800 1972.024578272015788 -5114.663469360023555 -5127.589783963550872 12.926314603527706 -75.102152294539636 -5091.092568389303779 -36.135310498978356 -0.361905075269031 73.585225682065342 20.925926008178717 20.656458518366197 3.291513762414523 -0.059073144857385 -0.004533737657614 0.029220028250984 0.136155380712901 -0.107850089566122 -0.133859978551722 
-   98900 1973.998236412997358 -5114.665988485184243 -5127.679151557689693 13.013163072505197 -74.922812631792382 -5091.232499606641795 -36.087424904255123 -0.359227046793372 74.079625237225983 20.919641880268586 20.656711729688805 3.294900554586654 -0.064746290815802 0.009643610553445 0.040694759964520 0.013489212349243 -0.127269163657935 -0.212141236444011 
-   99000 1976.027612802980002 -5114.662499622072573 -5127.567733769601546 12.905234147528878 -74.599616976906717 -5091.091119450696169 -36.120031874475970 -0.356582444430031 73.465221631434289 20.913381370175500 20.658285087074162 3.298393019263034 -0.057513802910765 0.020538300547056 0.015201777714280 -0.135564723915139 -0.064772300526833 0.415518821321405 
-   99100 1978.053496890992392 -5114.660751965533564 -5127.306156097074563 12.645404131540909 -74.640147147158075 -5090.827724883602968 -36.120535080143391 -0.357896133328258 71.986095449542404 20.908512405519648 20.660701035921686 3.297109628998949 -0.037386698989561 0.027208108861999 -0.041697224335396 -0.234715211899353 -0.022913191648289 0.446437281885255 
-   99200 1980.045801099971868 -5114.664525561505798 -5127.818573109096178 13.154047547590803 -75.172882279810054 -5091.350069429121504 -36.107833685030741 -0.360669994944247 74.881633869403657 20.906130693342455 20.663481136283227 3.291782326781756 -0.009186318726661 0.027290776612868 -0.048401680249351 -0.294365846198600 0.024084431264853 -0.486432291045999 
-   99300 1982.035044886986725 -5114.665753856574156 -5128.144289114170533 13.478535257596533 -75.281587451517737 -5091.622409076456279 -36.159810867217345 -0.362069170496125 76.728834877903935 20.906878751761912 20.665972857373685 3.289928484251831 0.022963268686515 0.021830516995525 0.006234563440792 -0.253419835307890 0.065537845168079 -0.375271756619954 
-   99400 1984.121218509972095 -5114.660400771990680 -5127.842296752886796 13.181895980896408 -75.023471294240323 -5091.384340345063720 -36.096144275821509 -0.361812132001826 75.040165772156953 20.910522682526175 20.667648723347259 3.292637506473222 0.049071488358182 0.011111294977034 0.045023958321149 -0.194968290348010 0.100795369156275 -0.176379087080594 
-   99500 1986.109076267981436 -5114.667672070996559 -5128.161909679367454 13.494237608370577 -74.655765226752919 -5091.665396191796390 -36.140625978836880 -0.355887508734948 76.818223157617595 20.916259673708982 20.668175359301760 3.297932074316811 0.063596171535725 -0.001026954811548 0.052596506498371 -0.085981677124107 0.115060082569145 0.363145740915214 
-   99600 1988.189856522018090 -5114.664389120398482 -5127.721090589871892 13.056701469473824 -74.494848930511750 -5091.228686601688423 -36.136601360550713 -0.355802627632944 74.327474903974561 20.922791620058902 20.667398095461479 3.299036531273703 0.064771916135677 -0.014436495398542 -0.036773215043019 0.036002227255651 0.100264334451618 0.632837544515788 
-   99700 1990.387310052989051 -5114.665730593860644 -5128.142876753445307 13.477146159584453 -74.940850343428792 -5091.700738463479865 -36.081197996606761 -0.360940293358818 76.720927203222587 20.928809868362602 20.665398541483761 3.293927799070163 0.052722733547219 -0.024564332395417 -0.048680296377938 0.164552815587272 0.065250053016028 -0.139180277883870 
-   99800 1992.910070875019301 -5114.663275191749563 -5127.888048805063590 13.224773613314021 -75.299708151742422 -5091.338273658047001 -36.188844685092079 -0.360930461924602 75.284253925272267 20.933015914761153 20.662660702919581 3.290192081920600 0.029092437623272 -0.029006765735297 -0.020729636255944 0.250901837960815 0.014539288528678 -0.333751475590456 
-   99900 1995.012493731977884 -5114.676819777090714 -5128.664502711674686 13.987682934583551 -75.256075551136547 -5092.253941491901060 -36.047258765640798 -0.363302454132863 79.627243888184736 20.934477894631083 20.659857606930693 3.290631084524280 -0.000214745074315 -0.025693396162728 0.041524620422469 0.268593442379176 -0.069447273313971 -0.743477571037940 
-  100000 1997.051554435980506 -5114.660417304431576 -5127.780715452949153 13.120298148517939 -74.619155589734618 -5091.265611892478773 -36.157953437340993 -0.357150123129480 74.689509723923479 20.932963294559386 20.657704751776222 3.297274815592850 -0.030323385652522 -0.016861411360926 0.061102778624245 0.253283856351309 -0.087827392529717 0.596212115730500 
-Loop time of 1997.06 on 4 procs for 100000 steps with 1360 atoms
-
-Performance: 4.326 ns/day, 5.547 hours/ns, 50.074 timesteps/s
-99.9% CPU use with 4 MPI tasks x 1 OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 1906.4     | 1920.7     | 1945.7     |  36.4 | 96.18
-Bond    | 0.043417   | 0.044397   | 0.044934   |   0.3 |  0.00
-Neigh   | 0          | 0          | 0          |   0.0 |  0.00
-Comm    | 44.096     | 69.144     | 83.43      | 191.7 |  3.46
-Output  | 5.4727     | 5.4801     | 5.5016     |   0.5 |  0.27
-Modify  | 0.5896     | 0.61239    | 0.66255    |   3.8 |  0.03
-Other   |            | 1.084      |            |       |  0.05
-
-Nlocal:    340 ave 346 max 336 min
-Histogram: 1 0 1 0 1 0 0 0 0 1
-Nghost:    4537.5 ave 4540 max 4534 min
-Histogram: 1 0 0 0 0 0 2 0 0 1
-Neighs:    62407 ave 62413 max 62402 min
-Histogram: 1 0 0 1 1 0 0 0 0 1
-FullNghs:  63347.5 ave 65585 max 61866 min
-Histogram: 1 1 0 1 0 0 0 0 0 1
-
-Total # of neighbors = 253926
-Ave neighs/atom = 186.71
-Ave special neighs/atom = 0
-Neighbor list builds = 0
-Dangerous builds = 0
-Total wall time: 0:33:17
diff --git a/examples/USER/misc/ilp_graphene_hbn/BNC.tersoff b/examples/USER/misc/ilp_graphene_hbn/BNC.tersoff
new file mode 120000
index 0000000000..a85156c694
--- /dev/null
+++ b/examples/USER/misc/ilp_graphene_hbn/BNC.tersoff
@@ -0,0 +1 @@
+../../../../potentials/BNC.tersoff
\ No newline at end of file
diff --git a/examples/USER/misc/ilp_graphene_hbn/BNCH-old.ILP b/examples/USER/misc/ilp_graphene_hbn/BNCH-old.ILP
new file mode 120000
index 0000000000..faee85f247
--- /dev/null
+++ b/examples/USER/misc/ilp_graphene_hbn/BNCH-old.ILP
@@ -0,0 +1 @@
+../../../../potentials/BNCH-old.ILP
\ No newline at end of file
diff --git a/examples/USER/misc/ilp_graphene_hbn/bilayer-graphene/BNCH-old.ILP b/examples/USER/misc/ilp_graphene_hbn/bilayer-graphene/BNCH-old.ILP
new file mode 120000
index 0000000000..9a3bc96225
--- /dev/null
+++ b/examples/USER/misc/ilp_graphene_hbn/bilayer-graphene/BNCH-old.ILP
@@ -0,0 +1 @@
+../../../../../potentials/BNCH-old.ILP
\ No newline at end of file
diff --git a/examples/USER/misc/ilp_gr_hBN/bilayer-graphene/Bi_gr_AB_stack_2L_noH_300K.data b/examples/USER/misc/ilp_graphene_hbn/bilayer-graphene/Bi_gr_AB_stack_2L_noH_300K.data
similarity index 100%
rename from examples/USER/misc/ilp_gr_hBN/bilayer-graphene/Bi_gr_AB_stack_2L_noH_300K.data
rename to examples/USER/misc/ilp_graphene_hbn/bilayer-graphene/Bi_gr_AB_stack_2L_noH_300K.data
diff --git a/examples/USER/misc/ilp_graphene_hbn/bilayer-graphene/CH.airebo b/examples/USER/misc/ilp_graphene_hbn/bilayer-graphene/CH.airebo
new file mode 120000
index 0000000000..5d070dd3a4
--- /dev/null
+++ b/examples/USER/misc/ilp_graphene_hbn/bilayer-graphene/CH.airebo
@@ -0,0 +1 @@
+../../../../../potentials/CH.airebo
\ No newline at end of file
diff --git a/examples/USER/misc/ilp_gr_hBN/bilayer-graphene/in.bilayer-graphene b/examples/USER/misc/ilp_graphene_hbn/bilayer-graphene/in.bilayer-graphene
similarity index 77%
rename from examples/USER/misc/ilp_gr_hBN/bilayer-graphene/in.bilayer-graphene
rename to examples/USER/misc/ilp_graphene_hbn/bilayer-graphene/in.bilayer-graphene
index 2fb3833d56..8674917af2 100644
--- a/examples/USER/misc/ilp_gr_hBN/bilayer-graphene/in.bilayer-graphene
+++ b/examples/USER/misc/ilp_graphene_hbn/bilayer-graphene/in.bilayer-graphene
@@ -16,10 +16,10 @@ group membrane  type 1
 group adsorbate type 2
 
 ######################## Potential defition ########################
-pair_style  hybrid/overlay  rebo  ILP/graphene/hBN 16.0
+pair_style  hybrid/overlay  rebo  ilp/graphene/hbn 16.0
 ####################################################################
 pair_coeff  * * rebo               CH.airebo      NULL C  # chemical
-pair_coeff  * * ILP/graphene/hBN   BNCH-old.ILP   C    C  # long range
+pair_coeff  * * ilp/graphene/hbn   BNCH-old.ILP   C    C  # long range
 ####################################################################
 # Neighbor update settings
 neighbor        2.0 bin
@@ -42,7 +42,7 @@ fix       subf membrane setforce 0.0 0.0 0.0
 fix       thermostat all nve
 
 compute   0 all pair rebo
-compute   1 all pair ILP/graphene/hBN
+compute   1 all pair ilp/graphene/hbn
 variable  REBO     equal c_0
 variable  ILP      equal c_1
 
@@ -50,12 +50,12 @@ variable  ILP      equal c_1
 
 # Output
 thermo          100
-thermo_style    custom step cpu etotal pe ke v_REBO v_ILP temp v_adsxcom v_adsycom v_adszcom v_adsvxcom v_adsvycom v_adsvzcom
-thermo_modify   line one format float %.16f
+thermo_style    custom step etotal pe ke v_REBO v_ILP temp v_adsxcom v_adsycom v_adszcom v_adsvxcom v_adsvycom v_adsvzcom
+thermo_modify   line one format float %.10f
 thermo_modify   flush yes norm no lost warn
 
-dump            1 all custom 1000 traj.lammpstrj id mol type xu yu zu
-dump_modify     1 format line "%7d %3d %3d %15.10g %15.10g %15.10g" flush yes
+#dump            1 all custom 1000 traj.lammpstrj id mol type xu yu zu
+#dump_modify     1 format line "%7d %3d %3d %15.10g %15.10g %15.10g" flush yes
 
 ###### Run molecular dynamics ######
-run 10000
+run 1000
diff --git a/examples/USER/misc/ilp_graphene_hbn/bilayer-graphene/log.16Mar18.bilayer-graphene.g++.1 b/examples/USER/misc/ilp_graphene_hbn/bilayer-graphene/log.16Mar18.bilayer-graphene.g++.1
new file mode 100644
index 0000000000..b93108646e
--- /dev/null
+++ b/examples/USER/misc/ilp_graphene_hbn/bilayer-graphene/log.16Mar18.bilayer-graphene.g++.1
@@ -0,0 +1,137 @@
+LAMMPS (8 Mar 2018)
+  using 1 OpenMP thread(s) per MPI task
+# Initialization
+units           metal
+boundary        p p p
+atom_style      full
+processors      * * 1     # domain decomposition over x and y
+
+# System and atom definition
+# we use 2 atom types so that inter- and intra-layer
+# interactions can be specified separately
+# read lammps data file
+read_data       Bi_gr_AB_stack_2L_noH_300K.data
+  orthogonal box = (0 0 0) to (42.6 41.8117 100)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  1360 atoms
+  reading velocities ...
+  1360 velocities
+  0 = max # of 1-2 neighbors
+  0 = max # of 1-3 neighbors
+  0 = max # of 1-4 neighbors
+  1 = max # of special neighbors
+mass            1 12.0107   # carbon mass (g/mole) | membrane
+mass            2 12.0107   # carbon mass (g/mole) | adsorbate
+# Separate atom groups
+group membrane  type 1
+680 atoms in group membrane
+group adsorbate type 2
+680 atoms in group adsorbate
+
+######################## Potential defition ########################
+pair_style  hybrid/overlay  rebo  ilp/graphene/hbn 16.0
+####################################################################
+pair_coeff  * * rebo               CH.airebo      NULL C  # chemical
+Reading potential file CH.airebo with DATE: 2011-10-25
+pair_coeff  * * ilp/graphene/hbn   BNCH-old.ILP   C    C  # long range
+####################################################################
+# Neighbor update settings
+neighbor        2.0 bin
+neigh_modify    every 1
+neigh_modify    delay 0
+neigh_modify    check yes
+
+# calculate the COM
+variable        adsxcom equal xcm(adsorbate,x)
+variable        adsycom equal xcm(adsorbate,y)
+variable        adszcom equal xcm(adsorbate,z)
+variable        adsvxcom equal vcm(adsorbate,x)
+variable        adsvycom equal vcm(adsorbate,y)
+variable        adsvzcom equal vcm(adsorbate,z)
+
+#### Simulation settings ####
+timestep  0.001
+#velocity  adsorbate create 300.0 12345
+fix       subf membrane setforce 0.0 0.0 0.0
+fix       thermostat all nve
+
+compute   0 all pair rebo
+compute   1 all pair ilp/graphene/hbn
+variable  REBO     equal c_0
+variable  ILP      equal c_1
+
+############################
+
+# Output
+thermo          100
+thermo_style    custom step etotal pe ke v_REBO v_ILP temp v_adsxcom v_adsycom v_adszcom v_adsvxcom v_adsvycom v_adsvzcom
+thermo_modify   line one format float %.10f
+thermo_modify   flush yes norm no lost warn
+
+#dump            1 all custom 1000 traj.lammpstrj id mol type xu yu zu
+#dump_modify     1 format line "%7d %3d %3d %15.10g %15.10g %15.10g" flush yes
+
+###### Run molecular dynamics ######
+run 1000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 18
+  ghost atom cutoff = 18
+  binsize = 9, bins = 5 5 12
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair rebo, perpetual, skip from (2)
+      attributes: full, newton on, ghost
+      pair build: skip/ghost
+      stencil: none
+      bin: none
+  (2) pair ilp/graphene/hbn, perpetual
+      attributes: full, newton on, ghost
+      pair build: full/bin/ghost
+      stencil: full/ghost/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 16.96 | 16.96 | 16.96 Mbytes
+Step TotEng PotEng KinEng v_REBO v_ILP Temp v_adsxcom v_adsycom v_adszcom v_adsvxcom v_adsvycom v_adsvzcom 
+       0 -5029.3801131277 -5044.0700799791 14.6899668514 -5011.2636297759 -32.8064502032 83.6251135127 22.0155657205 20.2812150219 3.4623630945 0.0282287195 0.0535565745 0.2193320108 
+     100 -5029.3895815657 -5045.3201249690 15.9305434033 -5012.4897058028 -32.8304191662 90.6873047362 22.0181751545 20.2867946176 3.4502536831 0.0239131349 0.0576557373 -0.4387830564 
+     200 -5029.3874064119 -5045.8119502228 16.4245438109 -5012.7276250747 -33.0843251481 93.4994853617 22.0202931358 20.2926890775 3.3883512918 0.0180268639 0.0596894423 -0.6964675465 
+     300 -5029.3851410393 -5044.9928147367 15.6076736974 -5012.1131531405 -32.8796615962 88.8493144891 22.0216852689 20.2985091183 3.3368274018 0.0093519893 0.0546775051 -0.2110676539 
+     400 -5029.3900102082 -5045.6706717598 16.2806615516 -5012.7330095297 -32.9376622301 92.6804113372 22.0220931529 20.3035219616 3.3560233852 -0.0015365116 0.0454268927 0.5478139709 
+     500 -5029.3985510533 -5046.0433160610 16.6447650078 -5013.0924334585 -32.9508826025 94.7531316612 22.0214795944 20.3074656871 3.4232399722 -0.0107212024 0.0332249366 0.6595923534 
+     600 -5029.3929936746 -5045.4367231195 16.0437294449 -5012.7046931021 -32.7320300174 91.3316353653 22.0200027176 20.3101652565 3.4651727438 -0.0178110391 0.0210056002 0.1144372537 
+     700 -5029.3934435811 -5045.6074608403 16.2140172592 -5012.7886962164 -32.8187646239 92.3010274644 22.0178838793 20.3116257077 3.4432436715 -0.0242636237 0.0078323424 -0.5162836955 
+     800 -5029.3892931255 -5046.2270462380 16.8377531124 -5013.2383770824 -32.9886691555 95.8517489911 22.0151485191 20.3116305041 3.3780520461 -0.0302821178 -0.0083184719 -0.6710801515 
+     900 -5029.3930414672 -5046.0272003818 16.6341589146 -5013.2317798384 -32.7954205434 94.6927546874 22.0119224940 20.3099187654 3.3350551183 -0.0341747588 -0.0256858066 -0.0799872839 
+    1000 -5029.3908907831 -5045.6437703691 16.2528795861 -5012.6800867885 -32.9636835807 92.5222578135 22.0084902521 20.3065746721 3.3658243730 -0.0336536245 -0.0406018547 0.6191660974 
+Loop time of 137.46 on 1 procs for 1000 steps with 1360 atoms
+
+Performance: 0.629 ns/day, 38.183 hours/ns, 7.275 timesteps/s
+95.1% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 137.33     | 137.33     | 137.33     |   0.0 | 99.90
+Bond    | 0.00071788 | 0.00071788 | 0.00071788 |   0.0 |  0.00
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.067907   | 0.067907   | 0.067907   |   0.0 |  0.05
+Output  | 0.0016029  | 0.0016029  | 0.0016029  |   0.0 |  0.00
+Modify  | 0.036542   | 0.036542   | 0.036542   |   0.0 |  0.03
+Other   |            | 0.02574    |            |       |  0.02
+
+Nlocal:    1360 ave 1360 max 1360 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    7964 ave 7964 max 7964 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    0 ave 0 max 0 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+FullNghs:  265206 ave 265206 max 265206 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 265206
+Ave neighs/atom = 195.004
+Ave special neighs/atom = 0
+Neighbor list builds = 0
+Dangerous builds = 0
+Total wall time: 0:02:17
diff --git a/examples/USER/misc/ilp_graphene_hbn/bilayer-graphene/log.16Mar18.bilayer-graphene.g++.4 b/examples/USER/misc/ilp_graphene_hbn/bilayer-graphene/log.16Mar18.bilayer-graphene.g++.4
new file mode 100644
index 0000000000..6e28672714
--- /dev/null
+++ b/examples/USER/misc/ilp_graphene_hbn/bilayer-graphene/log.16Mar18.bilayer-graphene.g++.4
@@ -0,0 +1,137 @@
+LAMMPS (8 Mar 2018)
+  using 1 OpenMP thread(s) per MPI task
+# Initialization
+units           metal
+boundary        p p p
+atom_style      full
+processors      * * 1     # domain decomposition over x and y
+
+# System and atom definition
+# we use 2 atom types so that inter- and intra-layer
+# interactions can be specified separately
+# read lammps data file
+read_data       Bi_gr_AB_stack_2L_noH_300K.data
+  orthogonal box = (0 0 0) to (42.6 41.8117 100)
+  2 by 2 by 1 MPI processor grid
+  reading atoms ...
+  1360 atoms
+  reading velocities ...
+  1360 velocities
+  0 = max # of 1-2 neighbors
+  0 = max # of 1-3 neighbors
+  0 = max # of 1-4 neighbors
+  1 = max # of special neighbors
+mass            1 12.0107   # carbon mass (g/mole) | membrane
+mass            2 12.0107   # carbon mass (g/mole) | adsorbate
+# Separate atom groups
+group membrane  type 1
+680 atoms in group membrane
+group adsorbate type 2
+680 atoms in group adsorbate
+
+######################## Potential defition ########################
+pair_style  hybrid/overlay  rebo  ilp/graphene/hbn 16.0
+####################################################################
+pair_coeff  * * rebo               CH.airebo      NULL C  # chemical
+Reading potential file CH.airebo with DATE: 2011-10-25
+pair_coeff  * * ilp/graphene/hbn   BNCH-old.ILP   C    C  # long range
+####################################################################
+# Neighbor update settings
+neighbor        2.0 bin
+neigh_modify    every 1
+neigh_modify    delay 0
+neigh_modify    check yes
+
+# calculate the COM
+variable        adsxcom equal xcm(adsorbate,x)
+variable        adsycom equal xcm(adsorbate,y)
+variable        adszcom equal xcm(adsorbate,z)
+variable        adsvxcom equal vcm(adsorbate,x)
+variable        adsvycom equal vcm(adsorbate,y)
+variable        adsvzcom equal vcm(adsorbate,z)
+
+#### Simulation settings ####
+timestep  0.001
+#velocity  adsorbate create 300.0 12345
+fix       subf membrane setforce 0.0 0.0 0.0
+fix       thermostat all nve
+
+compute   0 all pair rebo
+compute   1 all pair ilp/graphene/hbn
+variable  REBO     equal c_0
+variable  ILP      equal c_1
+
+############################
+
+# Output
+thermo          100
+thermo_style    custom step etotal pe ke v_REBO v_ILP temp v_adsxcom v_adsycom v_adszcom v_adsvxcom v_adsvycom v_adsvzcom
+thermo_modify   line one format float %.10f
+thermo_modify   flush yes norm no lost warn
+
+#dump            1 all custom 1000 traj.lammpstrj id mol type xu yu zu
+#dump_modify     1 format line "%7d %3d %3d %15.10g %15.10g %15.10g" flush yes
+
+###### Run molecular dynamics ######
+run 1000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 18
+  ghost atom cutoff = 18
+  binsize = 9, bins = 5 5 12
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair rebo, perpetual, skip from (2)
+      attributes: full, newton on, ghost
+      pair build: skip/ghost
+      stencil: none
+      bin: none
+  (2) pair ilp/graphene/hbn, perpetual
+      attributes: full, newton on, ghost
+      pair build: full/bin/ghost
+      stencil: full/ghost/bin/3d
+      bin: standard
+Per MPI rank memory allocation (min/avg/max) = 11.13 | 11.13 | 11.13 Mbytes
+Step TotEng PotEng KinEng v_REBO v_ILP Temp v_adsxcom v_adsycom v_adszcom v_adsvxcom v_adsvycom v_adsvzcom 
+       0 -5029.3801131277 -5044.0700799791 14.6899668514 -5011.2636297759 -32.8064502032 83.6251135127 22.0155657205 20.2812150219 3.4623630945 0.0282287195 0.0535565745 0.2193320108 
+     100 -5029.3895815657 -5045.3201249690 15.9305434033 -5012.4897058028 -32.8304191662 90.6873047362 22.0181751545 20.2867946176 3.4502536831 0.0239131349 0.0576557373 -0.4387830564 
+     200 -5029.3874064119 -5045.8119502228 16.4245438109 -5012.7276250747 -33.0843251481 93.4994853617 22.0202931358 20.2926890775 3.3883512918 0.0180268639 0.0596894423 -0.6964675465 
+     300 -5029.3851410393 -5044.9928147367 15.6076736974 -5012.1131531405 -32.8796615962 88.8493144891 22.0216852689 20.2985091183 3.3368274018 0.0093519893 0.0546775051 -0.2110676539 
+     400 -5029.3900102082 -5045.6706717598 16.2806615516 -5012.7330095297 -32.9376622301 92.6804113371 22.0220931529 20.3035219616 3.3560233852 -0.0015365116 0.0454268927 0.5478139709 
+     500 -5029.3985510533 -5046.0433160611 16.6447650078 -5013.0924334585 -32.9508826025 94.7531316612 22.0214795944 20.3074656871 3.4232399722 -0.0107212024 0.0332249366 0.6595923534 
+     600 -5029.3929936746 -5045.4367231195 16.0437294449 -5012.7046931021 -32.7320300174 91.3316353653 22.0200027176 20.3101652565 3.4651727438 -0.0178110391 0.0210056002 0.1144372537 
+     700 -5029.3934435811 -5045.6074608403 16.2140172592 -5012.7886962164 -32.8187646239 92.3010274643 22.0178838793 20.3116257077 3.4432436715 -0.0242636237 0.0078323424 -0.5162836955 
+     800 -5029.3892931255 -5046.2270462380 16.8377531124 -5013.2383770824 -32.9886691555 95.8517489911 22.0151485191 20.3116305041 3.3780520461 -0.0302821178 -0.0083184719 -0.6710801515 
+     900 -5029.3930414671 -5046.0272003818 16.6341589146 -5013.2317798384 -32.7954205434 94.6927546874 22.0119224940 20.3099187654 3.3350551183 -0.0341747588 -0.0256858066 -0.0799872839 
+    1000 -5029.3908907831 -5045.6437703692 16.2528795861 -5012.6800867885 -32.9636835807 92.5222578135 22.0084902521 20.3065746721 3.3658243730 -0.0336536245 -0.0406018547 0.6191660974 
+Loop time of 36.0917 on 4 procs for 1000 steps with 1360 atoms
+
+Performance: 2.394 ns/day, 10.025 hours/ns, 27.707 timesteps/s
+97.6% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 33.204     | 34.289     | 35.893     |  17.3 | 95.01
+Bond    | 0.00038719 | 0.00065947 | 0.00097609 |   0.0 |  0.00
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.1539     | 1.7595     | 2.8464     |  76.7 |  4.88
+Output  | 0.0013447  | 0.0014529  | 0.0016887  |   0.4 |  0.00
+Modify  | 0.010811   | 0.012037   | 0.013764   |   1.0 |  0.03
+Other   |            | 0.0287     |            |       |  0.08
+
+Nlocal:    340 ave 344 max 334 min
+Histogram: 1 0 0 0 0 0 1 0 1 1
+Nghost:    4628 ave 4634 max 4624 min
+Histogram: 1 0 1 0 1 0 0 0 0 1
+Neighs:    0 ave 0 max 0 min
+Histogram: 4 0 0 0 0 0 0 0 0 0
+FullNghs:  66301.5 ave 67860 max 63963 min
+Histogram: 1 0 0 0 0 0 1 0 1 1
+
+Total # of neighbors = 265206
+Ave neighs/atom = 195.004
+Ave special neighs/atom = 0
+Neighbor list builds = 0
+Dangerous builds = 0
+Total wall time: 0:00:36
diff --git a/examples/USER/misc/ilp_graphene_hbn/gr-hBN/BNC.tersoff b/examples/USER/misc/ilp_graphene_hbn/gr-hBN/BNC.tersoff
new file mode 120000
index 0000000000..0c35f80da1
--- /dev/null
+++ b/examples/USER/misc/ilp_graphene_hbn/gr-hBN/BNC.tersoff
@@ -0,0 +1 @@
+../../../../../potentials/BNC.tersoff
\ No newline at end of file
diff --git a/examples/USER/misc/ilp_graphene_hbn/gr-hBN/BNCH-old.ILP b/examples/USER/misc/ilp_graphene_hbn/gr-hBN/BNCH-old.ILP
new file mode 120000
index 0000000000..9a3bc96225
--- /dev/null
+++ b/examples/USER/misc/ilp_graphene_hbn/gr-hBN/BNCH-old.ILP
@@ -0,0 +1 @@
+../../../../../potentials/BNCH-old.ILP
\ No newline at end of file
diff --git a/examples/USER/misc/ilp_graphene_hbn/gr-hBN/CH.airebo b/examples/USER/misc/ilp_graphene_hbn/gr-hBN/CH.airebo
new file mode 120000
index 0000000000..5d070dd3a4
--- /dev/null
+++ b/examples/USER/misc/ilp_graphene_hbn/gr-hBN/CH.airebo
@@ -0,0 +1 @@
+../../../../../potentials/CH.airebo
\ No newline at end of file
diff --git a/examples/USER/misc/ilp_gr_hBN/gr-hBN/gr_hBN_Cstack_2L_noH.data b/examples/USER/misc/ilp_graphene_hbn/gr-hBN/gr_hBN_Cstack_2L_noH.data
similarity index 100%
rename from examples/USER/misc/ilp_gr_hBN/gr-hBN/gr_hBN_Cstack_2L_noH.data
rename to examples/USER/misc/ilp_graphene_hbn/gr-hBN/gr_hBN_Cstack_2L_noH.data
diff --git a/examples/USER/misc/ilp_gr_hBN/gr-hBN/in.grhBN b/examples/USER/misc/ilp_graphene_hbn/gr-hBN/in.grhBN
similarity index 79%
rename from examples/USER/misc/ilp_gr_hBN/gr-hBN/in.grhBN
rename to examples/USER/misc/ilp_graphene_hbn/gr-hBN/in.grhBN
index ba888fe948..bad7b17fde 100644
--- a/examples/USER/misc/ilp_gr_hBN/gr-hBN/in.grhBN
+++ b/examples/USER/misc/ilp_graphene_hbn/gr-hBN/in.grhBN
@@ -16,11 +16,11 @@ group membrane  type 1 2
 group adsorbate type 3
 
 ######################## Potential defition ########################
-pair_style  hybrid/overlay rebo tersoff ILP/graphene/hBN 16.0 coul/shield 16.0
+pair_style  hybrid/overlay rebo tersoff ilp/graphene/hbn 16.0 coul/shield 16.0
 ####################################################################
 pair_coeff  * * rebo               CH.airebo     NULL NULL C    # chemical
 pair_coeff  * * tersoff            BNC.tersoff   B    N    NULL # chemical
-pair_coeff  * * ILP/graphene/hBN   BNCH-old.ILP  B    N    C    # long range
+pair_coeff  * * ilp/graphene/hbn   BNCH-old.ILP  B    N    C    # long range
 pair_coeff  1 1 coul/shield 0.70
 pair_coeff  1 2 coul/shield 0.69498201415576216335
 pair_coeff  2 2 coul/shield 0.69
@@ -46,7 +46,7 @@ fix       thermostat all nve
 
 compute   0 all pair rebo
 compute   1 all pair tersoff
-compute   2 all pair ILP/graphene/hBN
+compute   2 all pair ilp/graphene/hbn
 compute   3 all pair coul/shield
 variable  REBO     equal  c_0
 variable  Tersoff  equal  c_1
@@ -61,11 +61,11 @@ variable        Evdw equal c_sldsub
 
 # Output
 thermo          100
-thermo_style    custom step cpu etotal pe ke v_Evdw v_Tersoff v_REBO v_EILP v_Ecoul temp v_adsxcom v_adsycom v_adszcom v_adsvxcom v_adsvycom v_adsvzcom
-thermo_modify   line one format float %.16f
+thermo_style    custom step etotal pe ke v_Evdw v_Tersoff v_REBO v_EILP v_Ecoul temp v_adsxcom v_adsycom v_adszcom v_adsvxcom v_adsvycom v_adsvzcom
+thermo_modify   line one format float %.10f
 
-dump            1 all custom 1000 traj.lammpstrj id mol type xu yu zu
-dump_modify     1 format line "%7d %3d %3d %15.10g %15.10g %15.10g" flush yes
+#dump            1 all custom 1000 traj.lammpstrj id mol type xu yu zu
+#dump_modify     1 format line "%7d %3d %3d %15.10g %15.10g %15.10g" flush yes
 
 ###### Run molecular dynamics ######
-run 100000
+run 1000
diff --git a/examples/USER/misc/ilp_graphene_hbn/gr-hBN/log.16Mar18.grhBN.g++.1 b/examples/USER/misc/ilp_graphene_hbn/gr-hBN/log.16Mar18.grhBN.g++.1
new file mode 100644
index 0000000000..e5bce94ef4
--- /dev/null
+++ b/examples/USER/misc/ilp_graphene_hbn/gr-hBN/log.16Mar18.grhBN.g++.1
@@ -0,0 +1,171 @@
+LAMMPS (8 Mar 2018)
+  using 1 OpenMP thread(s) per MPI task
+# Initialization
+units           metal
+boundary        p p p
+atom_style      full
+processors      * * 1     # domain decomposition over x and y
+
+# System and atom definition
+# we use 2 atom types so that inter- and intra-layer
+# interactions can be specified separately
+read_data       gr_hBN_Cstack_2L_noH.data
+  orthogonal box = (0 0 0) to (44.583 42.9 100)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  1440 atoms
+  0 = max # of 1-2 neighbors
+  0 = max # of 1-3 neighbors
+  0 = max # of 1-4 neighbors
+  1 = max # of special neighbors
+mass            1 10.8110   # boron    mass (g/mole) | membrane
+mass            2 14.0067   # nitrogen mass (g/mole) | membrane
+mass            3 12.0107   # carbon   mass (g/mole) | adsorbate
+# Separate atom groups
+group membrane  type 1 2
+720 atoms in group membrane
+group adsorbate type 3
+720 atoms in group adsorbate
+
+######################## Potential defition ########################
+pair_style  hybrid/overlay rebo tersoff ilp/graphene/hbn 16.0 coul/shield 16.0
+####################################################################
+pair_coeff  * * rebo               CH.airebo     NULL NULL C    # chemical
+Reading potential file CH.airebo with DATE: 2011-10-25
+pair_coeff  * * tersoff            BNC.tersoff   B    N    NULL # chemical
+Reading potential file BNC.tersoff with DATE: 2013-03-21
+pair_coeff  * * ilp/graphene/hbn   BNCH-old.ILP  B    N    C    # long range
+pair_coeff  1 1 coul/shield 0.70
+pair_coeff  1 2 coul/shield 0.69498201415576216335
+pair_coeff  2 2 coul/shield 0.69
+####################################################################
+# Neighbor update settings
+neighbor        2.0 bin
+neigh_modify    every 1
+neigh_modify    delay 0
+neigh_modify    check yes
+
+# calculate the COM
+variable        adsxcom equal xcm(adsorbate,x)
+variable        adsycom equal xcm(adsorbate,y)
+variable        adszcom equal xcm(adsorbate,z)
+variable        adsvxcom equal vcm(adsorbate,x)
+variable        adsvycom equal vcm(adsorbate,y)
+variable        adsvzcom equal vcm(adsorbate,z)
+
+#### Simulation settings ####
+timestep  0.001
+velocity  all create 300.0 12345
+fix       thermostat all nve
+
+compute   0 all pair rebo
+compute   1 all pair tersoff
+compute   2 all pair ilp/graphene/hbn
+compute   3 all pair coul/shield
+variable  REBO     equal  c_0
+variable  Tersoff  equal  c_1
+variable  EILP     equal  c_2
+variable  Ecoul    equal  c_3
+
+# Calculate the pair potential between the substrate and slider
+compute         sldsub adsorbate group/group membrane
+variable        Evdw equal c_sldsub
+
+############################
+
+# Output
+thermo          100
+thermo_style    custom step etotal pe ke v_Evdw v_Tersoff v_REBO v_EILP v_Ecoul temp v_adsxcom v_adsycom v_adszcom v_adsvxcom v_adsvycom v_adsvzcom
+thermo_modify   line one format float %.10f
+
+#dump            1 all custom 1000 traj.lammpstrj id mol type xu yu zu
+#dump_modify     1 format line "%7d %3d %3d %15.10g %15.10g %15.10g" flush yes
+
+###### Run molecular dynamics ######
+run 1000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 18
+  ghost atom cutoff = 18
+  binsize = 9, bins = 5 5 12
+  7 neighbor lists, perpetual/occasional/extra = 6 1 0
+  (1) pair rebo, perpetual, skip from (3)
+      attributes: full, newton on, ghost
+      pair build: skip/ghost
+      stencil: none
+      bin: none
+  (2) pair tersoff, perpetual, skip from (6)
+      attributes: full, newton on
+      pair build: skip
+      stencil: none
+      bin: none
+  (3) pair ilp/graphene/hbn, perpetual
+      attributes: full, newton on, ghost
+      pair build: full/bin/ghost
+      stencil: full/ghost/bin/3d
+      bin: standard
+  (4) pair coul/shield, perpetual, half/full from (2)
+      attributes: half, newton on
+      pair build: halffull/newton/skip
+      stencil: none
+      bin: none
+  (5) compute group/group, occasional, copy from (7)
+      attributes: half, newton on
+      pair build: copy
+      stencil: none
+      bin: none
+  (6) neighbor class addition, perpetual, copy from (3)
+      attributes: full, newton on
+      pair build: copy
+      stencil: none
+      bin: none
+  (7) neighbor class addition, perpetual, half/full from (6)
+      attributes: half, newton on
+      pair build: halffull/newton
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 25.93 | 25.93 | 25.93 Mbytes
+Step TotEng PotEng KinEng v_Evdw v_Tersoff v_REBO v_EILP v_Ecoul Temp v_adsxcom v_adsycom v_adszcom v_adsvxcom v_adsvycom v_adsvzcom 
+       0 -10708.4531746010 -10764.2547791975 55.8016045965 -66.8250335416 -5401.7347845703 -5322.2780762734 -40.2419183538 0.0000000000 300.0000000000 21.6722857297 22.1650000000 3.3300000000 0.1682661410 -0.0842226772 0.1056563755 
+     100 -10708.2491256387 -10738.4532793285 30.2041536898 -68.8603937785 -5389.4304136167 -5309.6361134033 -39.3867523085 0.0000000000 162.3832535368 21.6879886706 22.1574778199 3.3223279482 0.1346509596 -0.0580689194 -0.1274433614 
+     200 -10708.1985754490 -10736.7142682477 28.5156927987 -70.0276479251 -5388.8677096501 -5308.3263464524 -39.5202121452 0.0000000000 153.3057678444 21.6968427596 22.1541506320 3.3143666142 0.0334706445 -0.0081639882 -0.0055006321 
+     300 -10708.1878214116 -10736.9033486636 28.7155272520 -68.2422175765 -5388.5952548022 -5308.9505338445 -39.3575600169 0.0000000000 154.3801157314 21.6939171741 22.1551483321 3.3251666346 -0.0896064591 0.0248921781 0.1717740196 
+     400 -10708.2036103906 -10738.2295882994 30.0259779088 -67.4993928655 -5389.4510311345 -5309.1985887571 -39.5799684078 0.0000000000 161.4253467759 21.6806789605 22.1589742804 3.3300374170 -0.1615300496 0.0532638209 -0.1185426799 
+     500 -10708.1853082161 -10736.0245173060 27.8392090900 -69.9737746636 -5387.9379921501 -5308.5551693329 -39.5313558230 0.0000000000 149.6688632411 21.6641276776 22.1655659011 3.3143210751 -0.1579504334 0.0766822604 -0.1154029266 
+     600 -10708.1781001285 -10736.4254568396 28.2473567110 -69.9368770273 -5388.3515507737 -5308.6700567475 -39.4038493184 0.0000000000 151.8631421907 21.6516789999 22.1733266592 3.3149997184 -0.0805825343 0.0684349609 0.1419617624 
+     700 -10708.1867253590 -10736.6143955088 28.4276701498 -67.1597096579 -5387.8570063253 -5309.0676141640 -39.6897750195 0.0000000000 152.8325414049 21.6489884054 22.1774523945 3.3315351816 0.0259900263 0.0094570835 0.0707953688 
+     800 -10708.1733385055 -10736.0277775931 27.8544390876 -68.6354557276 -5388.1933954711 -5308.5094712719 -39.3249108500 0.0000000000 149.7507425941 21.6565725156 22.1751617515 3.3227650180 0.1222442823 -0.0531420670 -0.1677749693 
+     900 -10708.1827888042 -10737.2646739167 29.0818851126 -70.2218493216 -5387.9824857335 -5309.6527953488 -39.6293928345 0.0000000000 156.3497250098 21.6716950833 22.1680989334 3.3131455846 0.1650154385 -0.0820901425 0.0072049300 
+    1000 -10708.1804322657 -10736.1966428009 28.0162105352 -68.3753745517 -5388.2611029662 -5308.4521913187 -39.4833485160 0.0000000000 150.6204565501 21.6865468141 22.1602434319 3.3246621699 0.1213363701 -0.0688593023 0.1701174943 
+Loop time of 149.449 on 1 procs for 1000 steps with 1440 atoms
+
+Performance: 0.578 ns/day, 41.514 hours/ns, 6.691 timesteps/s
+96.7% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 149.06     | 149.06     | 149.06     |   0.0 | 99.74
+Bond    | 0.00082946 | 0.00082946 | 0.00082946 |   0.0 |  0.00
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.068351   | 0.068351   | 0.068351   |   0.0 |  0.05
+Output  | 0.25935    | 0.25935    | 0.25935    |   0.0 |  0.17
+Modify  | 0.030915   | 0.030915   | 0.030915   |   0.0 |  0.02
+Other   |            | 0.02702    |            |       |  0.02
+
+Nlocal:    1440 ave 1440 max 1440 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    8180 ave 8180 max 8180 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    140400 ave 140400 max 140400 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+FullNghs:  280800 ave 280800 max 280800 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 280800
+Ave neighs/atom = 195
+Ave special neighs/atom = 0
+Neighbor list builds = 0
+Dangerous builds = 0
+Total wall time: 0:02:29
diff --git a/examples/USER/misc/ilp_graphene_hbn/gr-hBN/log.16Mar18.grhBN.g++.4 b/examples/USER/misc/ilp_graphene_hbn/gr-hBN/log.16Mar18.grhBN.g++.4
new file mode 100644
index 0000000000..86e93369ff
--- /dev/null
+++ b/examples/USER/misc/ilp_graphene_hbn/gr-hBN/log.16Mar18.grhBN.g++.4
@@ -0,0 +1,171 @@
+LAMMPS (8 Mar 2018)
+  using 1 OpenMP thread(s) per MPI task
+# Initialization
+units           metal
+boundary        p p p
+atom_style      full
+processors      * * 1     # domain decomposition over x and y
+
+# System and atom definition
+# we use 2 atom types so that inter- and intra-layer
+# interactions can be specified separately
+read_data       gr_hBN_Cstack_2L_noH.data
+  orthogonal box = (0 0 0) to (44.583 42.9 100)
+  2 by 2 by 1 MPI processor grid
+  reading atoms ...
+  1440 atoms
+  0 = max # of 1-2 neighbors
+  0 = max # of 1-3 neighbors
+  0 = max # of 1-4 neighbors
+  1 = max # of special neighbors
+mass            1 10.8110   # boron    mass (g/mole) | membrane
+mass            2 14.0067   # nitrogen mass (g/mole) | membrane
+mass            3 12.0107   # carbon   mass (g/mole) | adsorbate
+# Separate atom groups
+group membrane  type 1 2
+720 atoms in group membrane
+group adsorbate type 3
+720 atoms in group adsorbate
+
+######################## Potential defition ########################
+pair_style  hybrid/overlay rebo tersoff ilp/graphene/hbn 16.0 coul/shield 16.0
+####################################################################
+pair_coeff  * * rebo               CH.airebo     NULL NULL C    # chemical
+Reading potential file CH.airebo with DATE: 2011-10-25
+pair_coeff  * * tersoff            BNC.tersoff   B    N    NULL # chemical
+Reading potential file BNC.tersoff with DATE: 2013-03-21
+pair_coeff  * * ilp/graphene/hbn   BNCH-old.ILP  B    N    C    # long range
+pair_coeff  1 1 coul/shield 0.70
+pair_coeff  1 2 coul/shield 0.69498201415576216335
+pair_coeff  2 2 coul/shield 0.69
+####################################################################
+# Neighbor update settings
+neighbor        2.0 bin
+neigh_modify    every 1
+neigh_modify    delay 0
+neigh_modify    check yes
+
+# calculate the COM
+variable        adsxcom equal xcm(adsorbate,x)
+variable        adsycom equal xcm(adsorbate,y)
+variable        adszcom equal xcm(adsorbate,z)
+variable        adsvxcom equal vcm(adsorbate,x)
+variable        adsvycom equal vcm(adsorbate,y)
+variable        adsvzcom equal vcm(adsorbate,z)
+
+#### Simulation settings ####
+timestep  0.001
+velocity  all create 300.0 12345
+fix       thermostat all nve
+
+compute   0 all pair rebo
+compute   1 all pair tersoff
+compute   2 all pair ilp/graphene/hbn
+compute   3 all pair coul/shield
+variable  REBO     equal  c_0
+variable  Tersoff  equal  c_1
+variable  EILP     equal  c_2
+variable  Ecoul    equal  c_3
+
+# Calculate the pair potential between the substrate and slider
+compute         sldsub adsorbate group/group membrane
+variable        Evdw equal c_sldsub
+
+############################
+
+# Output
+thermo          100
+thermo_style    custom step etotal pe ke v_Evdw v_Tersoff v_REBO v_EILP v_Ecoul temp v_adsxcom v_adsycom v_adszcom v_adsvxcom v_adsvycom v_adsvzcom
+thermo_modify   line one format float %.10f
+
+#dump            1 all custom 1000 traj.lammpstrj id mol type xu yu zu
+#dump_modify     1 format line "%7d %3d %3d %15.10g %15.10g %15.10g" flush yes
+
+###### Run molecular dynamics ######
+run 1000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 18
+  ghost atom cutoff = 18
+  binsize = 9, bins = 5 5 12
+  7 neighbor lists, perpetual/occasional/extra = 6 1 0
+  (1) pair rebo, perpetual, skip from (3)
+      attributes: full, newton on, ghost
+      pair build: skip/ghost
+      stencil: none
+      bin: none
+  (2) pair tersoff, perpetual, skip from (6)
+      attributes: full, newton on
+      pair build: skip
+      stencil: none
+      bin: none
+  (3) pair ilp/graphene/hbn, perpetual
+      attributes: full, newton on, ghost
+      pair build: full/bin/ghost
+      stencil: full/ghost/bin/3d
+      bin: standard
+  (4) pair coul/shield, perpetual, half/full from (2)
+      attributes: half, newton on
+      pair build: halffull/newton/skip
+      stencil: none
+      bin: none
+  (5) compute group/group, occasional, copy from (7)
+      attributes: half, newton on
+      pair build: copy
+      stencil: none
+      bin: none
+  (6) neighbor class addition, perpetual, copy from (3)
+      attributes: full, newton on
+      pair build: copy
+      stencil: none
+      bin: none
+  (7) neighbor class addition, perpetual, half/full from (6)
+      attributes: half, newton on
+      pair build: halffull/newton
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 14.25 | 14.25 | 14.25 Mbytes
+Step TotEng PotEng KinEng v_Evdw v_Tersoff v_REBO v_EILP v_Ecoul Temp v_adsxcom v_adsycom v_adszcom v_adsvxcom v_adsvycom v_adsvzcom 
+       0 -10708.4531746011 -10764.2547791976 55.8016045965 -66.8250335415 -5401.7347845703 -5322.2780762735 -40.2419183538 0.0000000000 300.0000000000 21.6722857297 22.1650000000 3.3300000000 0.1682661410 -0.0842226772 0.1056563755 
+     100 -10708.2491256387 -10738.4532793285 30.2041536898 -68.8603937785 -5389.4304136167 -5309.6361134033 -39.3867523085 0.0000000000 162.3832535368 21.6879886706 22.1574778199 3.3223279482 0.1346509596 -0.0580689194 -0.1274433614 
+     200 -10708.1985754490 -10736.7142682477 28.5156927987 -70.0276479251 -5388.8677096501 -5308.3263464524 -39.5202121452 0.0000000000 153.3057678444 21.6968427596 22.1541506320 3.3143666142 0.0334706445 -0.0081639882 -0.0055006321 
+     300 -10708.1878214116 -10736.9033486636 28.7155272520 -68.2422175765 -5388.5952548022 -5308.9505338445 -39.3575600169 0.0000000000 154.3801157314 21.6939171741 22.1551483321 3.3251666346 -0.0896064591 0.0248921781 0.1717740196 
+     400 -10708.2036103906 -10738.2295882994 30.0259779088 -67.4993928655 -5389.4510311345 -5309.1985887571 -39.5799684078 0.0000000000 161.4253467759 21.6806789605 22.1589742804 3.3300374170 -0.1615300496 0.0532638209 -0.1185426799 
+     500 -10708.1853082161 -10736.0245173060 27.8392090900 -69.9737746636 -5387.9379921501 -5308.5551693329 -39.5313558230 0.0000000000 149.6688632411 21.6641276776 22.1655659011 3.3143210751 -0.1579504334 0.0766822604 -0.1154029266 
+     600 -10708.1781001285 -10736.4254568396 28.2473567110 -69.9368770273 -5388.3515507736 -5308.6700567475 -39.4038493184 0.0000000000 151.8631421907 21.6516789999 22.1733266592 3.3149997184 -0.0805825343 0.0684349609 0.1419617624 
+     700 -10708.1867253590 -10736.6143955089 28.4276701498 -67.1597096579 -5387.8570063253 -5309.0676141640 -39.6897750195 0.0000000000 152.8325414049 21.6489884054 22.1774523945 3.3315351816 0.0259900263 0.0094570835 0.0707953688 
+     800 -10708.1733385055 -10736.0277775930 27.8544390876 -68.6354557276 -5388.1933954711 -5308.5094712719 -39.3249108500 0.0000000000 149.7507425941 21.6565725156 22.1751617515 3.3227650180 0.1222442823 -0.0531420670 -0.1677749693 
+     900 -10708.1827888042 -10737.2646739167 29.0818851126 -70.2218493216 -5387.9824857335 -5309.6527953488 -39.6293928345 0.0000000000 156.3497250098 21.6716950833 22.1680989334 3.3131455846 0.1650154385 -0.0820901425 0.0072049300 
+    1000 -10708.1804322657 -10736.1966428009 28.0162105352 -68.3753745517 -5388.2611029662 -5308.4521913187 -39.4833485160 0.0000000000 150.6204565501 21.6865468141 22.1602434319 3.3246621699 0.1213363701 -0.0688593023 0.1701174943 
+Loop time of 39.6206 on 4 procs for 1000 steps with 1440 atoms
+
+Performance: 2.181 ns/day, 11.006 hours/ns, 25.239 timesteps/s
+98.9% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 34.948     | 37.122     | 39.309     |  31.6 | 93.69
+Bond    | 0.00046444 | 0.0005914  | 0.00089121 |   0.0 |  0.00
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.20131    | 2.3895     | 4.565      | 124.7 |  6.03
+Output  | 0.069107   | 0.069157   | 0.069264   |   0.0 |  0.17
+Modify  | 0.010056   | 0.010403   | 0.010688   |   0.3 |  0.03
+Other   |            | 0.02875    |            |       |  0.07
+
+Nlocal:    360 ave 380 max 340 min
+Histogram: 2 0 0 0 0 0 0 0 0 2
+Nghost:    4716 ave 4736 max 4696 min
+Histogram: 2 0 0 0 0 0 0 0 0 2
+Neighs:    35100 ave 37050 max 33150 min
+Histogram: 2 0 0 0 0 0 0 0 0 2
+FullNghs:  70200 ave 74100 max 66300 min
+Histogram: 2 0 0 0 0 0 0 0 0 2
+
+Total # of neighbors = 280800
+Ave neighs/atom = 195
+Ave special neighs/atom = 0
+Neighbor list builds = 0
+Dangerous builds = 0
+Total wall time: 0:00:39
diff --git a/examples/USER/misc/ilp_gr_hBN/hBN_AB_stack_2L_noH_equi_300K.data b/examples/USER/misc/ilp_graphene_hbn/hBN_AB_stack_2L_noH_equi_300K.data
similarity index 100%
rename from examples/USER/misc/ilp_gr_hBN/hBN_AB_stack_2L_noH_equi_300K.data
rename to examples/USER/misc/ilp_graphene_hbn/hBN_AB_stack_2L_noH_equi_300K.data
diff --git a/examples/USER/misc/ilp_gr_hBN/in.ilp_gr_hBN b/examples/USER/misc/ilp_graphene_hbn/in.ilp_graphene_hbn
similarity index 79%
rename from examples/USER/misc/ilp_gr_hBN/in.ilp_gr_hBN
rename to examples/USER/misc/ilp_graphene_hbn/in.ilp_graphene_hbn
index 067171ffc7..da813b3d10 100644
--- a/examples/USER/misc/ilp_gr_hBN/in.ilp_gr_hBN
+++ b/examples/USER/misc/ilp_graphene_hbn/in.ilp_graphene_hbn
@@ -17,10 +17,10 @@ group membrane  type 1 2
 group adsorbate type 3 4
 
 ######################## Potential defition ########################
-pair_style  hybrid/overlay  tersoff  ILP/graphene/hBN 16.0 coul/shield 16.0 1
+pair_style  hybrid/overlay  tersoff  ilp/graphene/hbn 16.0 coul/shield 16.0 1
 ####################################################################
 pair_coeff  * * tersoff          BNC.tersoff   NULL NULL B N  # chemical
-pair_coeff  * * ILP/graphene/hBN BNCH-old.ILP  B N B N  # long range
+pair_coeff  * * ilp/graphene/hbn BNCH-old.ILP  B N B N  # long range
 pair_coeff  1 3 coul/shield 0.70
 pair_coeff  1 4 coul/shield 0.69498201415576216335
 pair_coeff  2 3 coul/shield 0.69498201415576216335
@@ -48,7 +48,7 @@ fix       thermostat all nve
 
 compute   0 all pair tersoff
 compute   1 all pair coul/shield ecoul
-compute   2 all pair ILP/graphene/hBN
+compute   2 all pair ilp/graphene/hbn
 variable  Tersoff  equal c_0
 variable  Ecoul    equal c_1
 variable  EILP     equal c_2
@@ -61,12 +61,12 @@ variable        Evdw equal c_sldsub
 
 # Output
 thermo          100
-thermo_style    custom step cpu etotal pe ke v_Evdw v_Tersoff v_EILP v_Ecoul temp v_adsxcom v_adsycom v_adszcom v_adsvxcom v_adsvycom v_adsvzcom f_subf[1] f_subf[2] f_subf[3]
-thermo_modify   line one format float %.15f
+thermo_style    custom step etotal pe ke v_Evdw v_Tersoff v_EILP v_Ecoul temp v_adsxcom v_adsycom v_adszcom v_adsvxcom v_adsvycom v_adsvzcom f_subf[1] f_subf[2] f_subf[3]
+thermo_modify   line one format float %.10f
 thermo_modify   flush yes norm no lost warn #ignore
 
-dump            1 all custom 1000 traj.lammpstrj id mol type xu yu zu
-dump_modify     1 format line "%7d %3d %3d %15.10g %15.10g %15.10g" flush yes
+#dump            1 all custom 1000 traj.lammpstrj id mol type xu yu zu
+#dump_modify     1 format line "%7d %3d %3d %15.10g %15.10g %15.10g" flush yes
 
 ###### Run molecular dynamics ######
-run 100000
+run 1000
diff --git a/examples/USER/misc/ilp_graphene_hbn/log.16Mar18.ilp_gr_hBN.g++.1 b/examples/USER/misc/ilp_graphene_hbn/log.16Mar18.ilp_gr_hBN.g++.1
new file mode 100644
index 0000000000..fc10948f9a
--- /dev/null
+++ b/examples/USER/misc/ilp_graphene_hbn/log.16Mar18.ilp_gr_hBN.g++.1
@@ -0,0 +1,168 @@
+LAMMPS (8 Mar 2018)
+  using 1 OpenMP thread(s) per MPI task
+# Initialization
+units           metal
+boundary        p p p
+atom_style      full
+processors      * * 1     # domain decomposition over x and y
+
+# System and atom definition
+# we use 2 atom types so that inter- and intra-layer
+# interactions can be specified separately
+read_data       hBN_AB_stack_2L_noH_equi_300K.data
+  orthogonal box = (0 0 0) to (43.38 42.5773 100)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  1360 atoms
+  reading velocities ...
+  1360 velocities
+  0 = max # of 1-2 neighbors
+  0 = max # of 1-3 neighbors
+  0 = max # of 1-4 neighbors
+  1 = max # of special neighbors
+mass            1 10.8110   # boron mass (g/mole) | membrane
+mass            2 14.0067   # nitrogen mass (g/mole) | adsorbate
+mass            3 10.8110   # boron mass (g/mole) | membrane
+mass            4 14.0067   # nitrogen mass (g/mole) | adsorbate
+# Separate atom groups
+group membrane  type 1 2
+680 atoms in group membrane
+group adsorbate type 3 4
+680 atoms in group adsorbate
+
+######################## Potential defition ########################
+pair_style  hybrid/overlay  tersoff  ilp/graphene/hbn 16.0 coul/shield 16.0 1
+####################################################################
+pair_coeff  * * tersoff          BNC.tersoff   NULL NULL B N  # chemical
+Reading potential file BNC.tersoff with DATE: 2013-03-21
+pair_coeff  * * ilp/graphene/hbn BNCH-old.ILP  B N B N  # long range
+pair_coeff  1 3 coul/shield 0.70
+pair_coeff  1 4 coul/shield 0.69498201415576216335
+pair_coeff  2 3 coul/shield 0.69498201415576216335
+pair_coeff  2 4 coul/shield 0.69
+####################################################################
+# Neighbor update settings
+neighbor        2.0 bin
+neigh_modify    every 1
+neigh_modify    delay 0
+neigh_modify    check yes
+
+# calculate the COM
+variable        adsxcom equal xcm(adsorbate,x)
+variable        adsycom equal xcm(adsorbate,y)
+variable        adszcom equal xcm(adsorbate,z)
+variable        adsvxcom equal vcm(adsorbate,x)
+variable        adsvycom equal vcm(adsorbate,y)
+variable        adsvzcom equal vcm(adsorbate,z)
+
+#### Simulation settings ####
+timestep  0.001
+#velocity  adsorbate create 300.0 12345
+fix       subf membrane setforce 0.0 0.0 0.0
+fix       thermostat all nve
+
+compute   0 all pair tersoff
+compute   1 all pair coul/shield ecoul
+compute   2 all pair ilp/graphene/hbn
+variable  Tersoff  equal c_0
+variable  Ecoul    equal c_1
+variable  EILP     equal c_2
+
+# Calculate the pair potential between the substrate and slider
+compute         sldsub adsorbate group/group membrane
+variable        Evdw equal c_sldsub
+
+############################
+
+# Output
+thermo          100
+thermo_style    custom step etotal pe ke v_Evdw v_Tersoff v_EILP v_Ecoul temp v_adsxcom v_adsycom v_adszcom v_adsvxcom v_adsvycom v_adsvzcom f_subf[1] f_subf[2] f_subf[3]
+thermo_modify   line one format float %.10f
+thermo_modify   flush yes norm no lost warn #ignore
+
+#dump            1 all custom 1000 traj.lammpstrj id mol type xu yu zu
+#dump_modify     1 format line "%7d %3d %3d %15.10g %15.10g %15.10g" flush yes
+
+###### Run molecular dynamics ######
+run 1000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 18
+  ghost atom cutoff = 18
+  binsize = 9, bins = 5 5 12
+  6 neighbor lists, perpetual/occasional/extra = 5 1 0
+  (1) pair tersoff, perpetual, skip from (5)
+      attributes: full, newton on
+      pair build: skip
+      stencil: none
+      bin: none
+  (2) pair ilp/graphene/hbn, perpetual
+      attributes: full, newton on, ghost
+      pair build: full/bin/ghost
+      stencil: full/ghost/bin/3d
+      bin: standard
+  (3) pair coul/shield, perpetual, skip from (6)
+      attributes: half, newton on
+      pair build: skip
+      stencil: none
+      bin: none
+  (4) compute group/group, occasional, copy from (6)
+      attributes: half, newton on
+      pair build: copy
+      stencil: none
+      bin: none
+  (5) neighbor class addition, perpetual, copy from (2)
+      attributes: full, newton on
+      pair build: copy
+      stencil: none
+      bin: none
+  (6) neighbor class addition, perpetual, half/full from (5)
+      attributes: half, newton on
+      pair build: halffull/newton
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 57.85 | 57.85 | 57.85 Mbytes
+Step TotEng PotEng KinEng v_Evdw v_Tersoff v_EILP v_Ecoul Temp v_adsxcom v_adsycom v_adszcom v_adsvxcom v_adsvycom v_adsvzcom f_subf[1] f_subf[2] f_subf[3] 
+       0 -5114.6628078598 -5127.8586355055 13.1958276458 -75.3652234209 -5091.4120857465 -36.0831137829 -0.3634359761 75.1194741238 20.9113202537 20.6582215878 3.2895976612 -0.0495147937 -0.0552233516 -0.0166592619 -0.1742790202 -0.0884665936 -0.8010816801 
+     100 -5114.6620580583 -5127.6958349342 13.0337768758 -75.2249487778 -5091.2407919311 -36.0927601416 -0.3622828614 74.1969727889 20.9076129631 20.6534162972 3.2908118318 -0.0234802196 -0.0397832410 0.0332404745 -0.2430042439 -0.1598109185 -0.5351246275 
+     200 -5114.6630637865 -5127.5945140906 12.9314503041 -74.6445167393 -5091.1507571912 -36.0866688941 -0.3570880053 73.6144615235 20.9067696105 20.6505240051 3.2976575241 0.0078967872 -0.0170385302 0.0850447973 -0.2934041648 -0.2405295165 0.2309200807 
+     300 -5114.6693830121 -5128.3286231421 13.6592401300 -74.2223518942 -5091.8645555419 -36.1107860098 -0.3532815904 77.7575278367 20.9090146500 20.6502445717 3.3024525026 0.0352437329 0.0112279015 -0.0021399216 -0.2166516175 -0.2410661267 0.9007458614 
+     400 -5114.6614035404 -5127.6423784754 12.9809749350 -74.6548295432 -5091.2348011465 -36.0496340516 -0.3579432773 73.8963888364 20.9136276183 20.6526810045 3.2977225951 0.0556629502 0.0358324354 -0.0738287296 -0.1431221016 -0.1626739623 0.0673046122 
+     500 -5114.6599876234 -5127.4097813122 12.7497936887 -75.2268687829 -5090.9284608504 -36.1195707042 -0.3617497575 72.5803506074 20.9197050770 20.6571510311 3.2909058903 0.0631939085 0.0530269602 -0.0516940297 -0.0112976844 -0.1217009147 -0.4713422319 
+     600 -5114.6672773464 -5128.0912983829 13.4240210364 -75.3848112535 -5091.6338883189 -36.0938401510 -0.3635699131 76.4185034811 20.9258252862 20.6628322031 3.2892805234 0.0573396226 0.0579085440 0.0291853982 0.1059950758 0.0102266125 -0.7683214794 
+     700 -5114.6609647250 -5127.7466720637 13.0857073388 -74.7981789470 -5091.2811095008 -36.1066385732 -0.3589239897 74.4925957063 20.9307092134 20.6683554324 3.2957959411 0.0396744013 0.0503347378 0.0818267711 0.1737903706 0.1258761156 0.1307185989 
+     800 -5114.6622627667 -5128.0130406264 13.3507778597 -74.2952448854 -5091.5693975625 -36.0897180314 -0.3539250325 76.0015543464 20.9334441079 20.6725125240 3.3019570181 0.0142277646 0.0313116646 0.0291673132 0.2457478793 0.1912082770 0.7239823553 
+     900 -5114.6675469561 -5128.1496933801 13.4821464240 -74.3644898573 -5091.6703861750 -36.1246785145 -0.3546286905 76.7493920516 20.9334403558 20.6744181494 3.3005582394 -0.0141399355 0.0063543986 -0.0561206619 0.2370151923 0.2115707560 0.7822017606 
+    1000 -5114.6683146144 -5128.3364609113 13.6681462969 -75.1091579020 -5091.9370210069 -36.0375964349 -0.3618434694 77.8082276935 20.9306643096 20.6737238853 3.2922181699 -0.0411219854 -0.0200694204 -0.0788193565 0.2225175431 0.2377413412 -0.5875288557 
+Loop time of 202.063 on 1 procs for 1000 steps with 1360 atoms
+
+Performance: 0.428 ns/day, 56.129 hours/ns, 4.949 timesteps/s
+91.0% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 201.4      | 201.4      | 201.4      |   0.0 | 99.67
+Bond    | 0.00092697 | 0.00092697 | 0.00092697 |   0.0 |  0.00
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.086005   | 0.086005   | 0.086005   |   0.0 |  0.04
+Output  | 0.50438    | 0.50438    | 0.50438    |   0.0 |  0.25
+Modify  | 0.038846   | 0.038846   | 0.038846   |   0.0 |  0.02
+Other   |            | 0.03093    |            |       |  0.02
+
+Nlocal:    1360 ave 1360 max 1360 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    7840 ave 7840 max 7840 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    249628 ave 249628 max 249628 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+FullNghs:  253390 ave 253390 max 253390 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 253390
+Ave neighs/atom = 186.316
+Ave special neighs/atom = 0
+Neighbor list builds = 0
+Dangerous builds = 0
+Total wall time: 0:03:22
diff --git a/examples/USER/misc/ilp_graphene_hbn/log.16Mar18.ilp_gr_hBN.g++.4 b/examples/USER/misc/ilp_graphene_hbn/log.16Mar18.ilp_gr_hBN.g++.4
new file mode 100644
index 0000000000..5cd3518918
--- /dev/null
+++ b/examples/USER/misc/ilp_graphene_hbn/log.16Mar18.ilp_gr_hBN.g++.4
@@ -0,0 +1,168 @@
+LAMMPS (8 Mar 2018)
+  using 1 OpenMP thread(s) per MPI task
+# Initialization
+units           metal
+boundary        p p p
+atom_style      full
+processors      * * 1     # domain decomposition over x and y
+
+# System and atom definition
+# we use 2 atom types so that inter- and intra-layer
+# interactions can be specified separately
+read_data       hBN_AB_stack_2L_noH_equi_300K.data
+  orthogonal box = (0 0 0) to (43.38 42.5773 100)
+  2 by 2 by 1 MPI processor grid
+  reading atoms ...
+  1360 atoms
+  reading velocities ...
+  1360 velocities
+  0 = max # of 1-2 neighbors
+  0 = max # of 1-3 neighbors
+  0 = max # of 1-4 neighbors
+  1 = max # of special neighbors
+mass            1 10.8110   # boron mass (g/mole) | membrane
+mass            2 14.0067   # nitrogen mass (g/mole) | adsorbate
+mass            3 10.8110   # boron mass (g/mole) | membrane
+mass            4 14.0067   # nitrogen mass (g/mole) | adsorbate
+# Separate atom groups
+group membrane  type 1 2
+680 atoms in group membrane
+group adsorbate type 3 4
+680 atoms in group adsorbate
+
+######################## Potential defition ########################
+pair_style  hybrid/overlay  tersoff  ilp/graphene/hbn 16.0 coul/shield 16.0 1
+####################################################################
+pair_coeff  * * tersoff          BNC.tersoff   NULL NULL B N  # chemical
+Reading potential file BNC.tersoff with DATE: 2013-03-21
+pair_coeff  * * ilp/graphene/hbn BNCH-old.ILP  B N B N  # long range
+pair_coeff  1 3 coul/shield 0.70
+pair_coeff  1 4 coul/shield 0.69498201415576216335
+pair_coeff  2 3 coul/shield 0.69498201415576216335
+pair_coeff  2 4 coul/shield 0.69
+####################################################################
+# Neighbor update settings
+neighbor        2.0 bin
+neigh_modify    every 1
+neigh_modify    delay 0
+neigh_modify    check yes
+
+# calculate the COM
+variable        adsxcom equal xcm(adsorbate,x)
+variable        adsycom equal xcm(adsorbate,y)
+variable        adszcom equal xcm(adsorbate,z)
+variable        adsvxcom equal vcm(adsorbate,x)
+variable        adsvycom equal vcm(adsorbate,y)
+variable        adsvzcom equal vcm(adsorbate,z)
+
+#### Simulation settings ####
+timestep  0.001
+#velocity  adsorbate create 300.0 12345
+fix       subf membrane setforce 0.0 0.0 0.0
+fix       thermostat all nve
+
+compute   0 all pair tersoff
+compute   1 all pair coul/shield ecoul
+compute   2 all pair ilp/graphene/hbn
+variable  Tersoff  equal c_0
+variable  Ecoul    equal c_1
+variable  EILP     equal c_2
+
+# Calculate the pair potential between the substrate and slider
+compute         sldsub adsorbate group/group membrane
+variable        Evdw equal c_sldsub
+
+############################
+
+# Output
+thermo          100
+thermo_style    custom step etotal pe ke v_Evdw v_Tersoff v_EILP v_Ecoul temp v_adsxcom v_adsycom v_adszcom v_adsvxcom v_adsvycom v_adsvzcom f_subf[1] f_subf[2] f_subf[3]
+thermo_modify   line one format float %.10f
+thermo_modify   flush yes norm no lost warn #ignore
+
+#dump            1 all custom 1000 traj.lammpstrj id mol type xu yu zu
+#dump_modify     1 format line "%7d %3d %3d %15.10g %15.10g %15.10g" flush yes
+
+###### Run molecular dynamics ######
+run 1000
+Neighbor list info ...
+  update every 1 steps, delay 0 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 18
+  ghost atom cutoff = 18
+  binsize = 9, bins = 5 5 12
+  6 neighbor lists, perpetual/occasional/extra = 5 1 0
+  (1) pair tersoff, perpetual, skip from (5)
+      attributes: full, newton on
+      pair build: skip
+      stencil: none
+      bin: none
+  (2) pair ilp/graphene/hbn, perpetual
+      attributes: full, newton on, ghost
+      pair build: full/bin/ghost
+      stencil: full/ghost/bin/3d
+      bin: standard
+  (3) pair coul/shield, perpetual, skip from (6)
+      attributes: half, newton on
+      pair build: skip
+      stencil: none
+      bin: none
+  (4) compute group/group, occasional, copy from (6)
+      attributes: half, newton on
+      pair build: copy
+      stencil: none
+      bin: none
+  (5) neighbor class addition, perpetual, copy from (2)
+      attributes: full, newton on
+      pair build: copy
+      stencil: none
+      bin: none
+  (6) neighbor class addition, perpetual, half/full from (5)
+      attributes: half, newton on
+      pair build: halffull/newton
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 30.63 | 30.63 | 30.64 Mbytes
+Step TotEng PotEng KinEng v_Evdw v_Tersoff v_EILP v_Ecoul Temp v_adsxcom v_adsycom v_adszcom v_adsvxcom v_adsvycom v_adsvzcom f_subf[1] f_subf[2] f_subf[3] 
+       0 -5114.6628078598 -5127.8586355055 13.1958276458 -75.3652234209 -5091.4120857465 -36.0831137829 -0.3634359761 75.1194741238 20.9113202537 20.6582215878 3.2895976612 -0.0495147937 -0.0552233516 -0.0166592619 -0.1742790202 -0.0884665936 -0.8010816801 
+     100 -5114.6620580583 -5127.6958349342 13.0337768758 -75.2249487778 -5091.2407919311 -36.0927601416 -0.3622828614 74.1969727889 20.9076129631 20.6534162972 3.2908118318 -0.0234802196 -0.0397832410 0.0332404745 -0.2430042439 -0.1598109185 -0.5351246275 
+     200 -5114.6630637865 -5127.5945140906 12.9314503041 -74.6445167393 -5091.1507571912 -36.0866688941 -0.3570880053 73.6144615235 20.9067696105 20.6505240051 3.2976575241 0.0078967872 -0.0170385302 0.0850447973 -0.2934041648 -0.2405295165 0.2309200807 
+     300 -5114.6693830121 -5128.3286231421 13.6592401300 -74.2223518942 -5091.8645555419 -36.1107860098 -0.3532815904 77.7575278367 20.9090146500 20.6502445717 3.3024525026 0.0352437329 0.0112279015 -0.0021399216 -0.2166516175 -0.2410661267 0.9007458614 
+     400 -5114.6614035404 -5127.6423784754 12.9809749350 -74.6548295432 -5091.2348011465 -36.0496340516 -0.3579432773 73.8963888364 20.9136276183 20.6526810045 3.2977225951 0.0556629502 0.0358324354 -0.0738287296 -0.1431221016 -0.1626739623 0.0673046122 
+     500 -5114.6599876234 -5127.4097813122 12.7497936887 -75.2268687829 -5090.9284608504 -36.1195707042 -0.3617497575 72.5803506074 20.9197050770 20.6571510311 3.2909058903 0.0631939085 0.0530269602 -0.0516940297 -0.0112976844 -0.1217009147 -0.4713422319 
+     600 -5114.6672773464 -5128.0912983829 13.4240210364 -75.3848112535 -5091.6338883189 -36.0938401510 -0.3635699131 76.4185034811 20.9258252862 20.6628322031 3.2892805234 0.0573396226 0.0579085440 0.0291853982 0.1059950758 0.0102266125 -0.7683214794 
+     700 -5114.6609647250 -5127.7466720637 13.0857073388 -74.7981789470 -5091.2811095008 -36.1066385732 -0.3589239897 74.4925957063 20.9307092134 20.6683554324 3.2957959411 0.0396744013 0.0503347378 0.0818267711 0.1737903706 0.1258761156 0.1307185989 
+     800 -5114.6622627667 -5128.0130406264 13.3507778597 -74.2952448854 -5091.5693975625 -36.0897180314 -0.3539250325 76.0015543464 20.9334441079 20.6725125240 3.3019570181 0.0142277646 0.0313116646 0.0291673132 0.2457478793 0.1912082770 0.7239823553 
+     900 -5114.6675469561 -5128.1496933801 13.4821464240 -74.3644898573 -5091.6703861750 -36.1246785145 -0.3546286905 76.7493920516 20.9334403558 20.6744181494 3.3005582394 -0.0141399355 0.0063543986 -0.0561206619 0.2370151923 0.2115707560 0.7822017606 
+    1000 -5114.6683146144 -5128.3364609113 13.6681462969 -75.1091579020 -5091.9370210069 -36.0375964349 -0.3618434694 77.8082276935 20.9306643096 20.6737238853 3.2922181699 -0.0411219854 -0.0200694204 -0.0788193565 0.2225175431 0.2377413412 -0.5875288557 
+Loop time of 53.3155 on 4 procs for 1000 steps with 1360 atoms
+
+Performance: 1.621 ns/day, 14.810 hours/ns, 18.756 timesteps/s
+97.6% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 49.475     | 50.978     | 52.988     |  18.0 | 95.62
+Bond    | 0.00045061 | 0.00066602 | 0.00086665 |   0.0 |  0.00
+Neigh   | 0          | 0          | 0          |   0.0 |  0.00
+Comm    | 0.16491    | 2.1759     | 3.679      |  87.0 |  4.08
+Output  | 0.11871    | 0.11882    | 0.11911    |   0.0 |  0.22
+Modify  | 0.012956   | 0.013504   | 0.01387    |   0.3 |  0.03
+Other   |            | 0.02828    |            |       |  0.05
+
+Nlocal:    340 ave 346 max 336 min
+Histogram: 1 0 1 0 1 0 0 0 0 1
+Nghost:    4537.5 ave 4540 max 4534 min
+Histogram: 1 0 0 0 0 0 2 0 0 1
+Neighs:    62407 ave 62413 max 62402 min
+Histogram: 1 0 0 1 1 0 0 0 0 1
+FullNghs:  63347.5 ave 65585 max 61866 min
+Histogram: 1 1 0 1 0 0 0 0 0 1
+
+Total # of neighbors = 253926
+Ave neighs/atom = 186.71
+Ave special neighs/atom = 0
+Neighbor list builds = 0
+Dangerous builds = 0
+Total wall time: 0:00:53
diff --git a/src/.gitignore b/src/.gitignore
index 659ae557a8..94d55b8705 100644
--- a/src/.gitignore
+++ b/src/.gitignore
@@ -685,6 +685,8 @@
 /pair_coul_long.h
 /pair_coul_msm.cpp
 /pair_coul_msm.h
+/pair_coul_shield.cpp
+/pair_coul_shield.h
 /pair_dipole_cut.cpp
 /pair_dipole_cut.h
 /pair_dipole_sf.cpp
@@ -728,6 +730,10 @@
 /pair_hbond_dreiding_lj.h
 /pair_hbond_dreiding_morse.cpp
 /pair_hbond_dreiding_morse.h
+/pair_ilp_graphene_hbn.cpp
+/pair_ilp_graphene_hbn.h
+/pair_kolmogorov_crespi_full.cpp
+/pair_kolmogorov_crespi_full.h
 /pair_kolmogorov_crespi_z.cpp
 /pair_kolmogorov_crespi_z.h
 /pair_lcbop.cpp
diff --git a/src/USER-MISC/pair_coul_shield.cpp b/src/USER-MISC/pair_coul_shield.cpp
index cf75b6c6c8..0f7852163c 100644
--- a/src/USER-MISC/pair_coul_shield.cpp
+++ b/src/USER-MISC/pair_coul_shield.cpp
@@ -13,7 +13,7 @@
 /* ----------------------------------------------------------------------
    Contributing author: Wengen Ouyang (Tel Aviv University)
    e-mail: w.g.ouyang at gmail dot com
-  
+
    This is a Coulomb potential described in
    [Maaravi et al, J. Phys. Chem. C 121, 22826-22835 (2017)]
 ------------------------------------------------------------------------- */
@@ -29,19 +29,20 @@
 #include "neighbor.h"
 #include "neigh_list.h"
 #include "memory.h"
+#include "math_special.h"
 #include "error.h"
 
 using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
 
-PairCoulshield::PairCoulshield(LAMMPS *lmp) : Pair(lmp) {
-Tapflag = 1;
+PairCoulShield::PairCoulShield(LAMMPS *lmp) : Pair(lmp) {
+  tap_flag = 1;
 }
 
 /* ---------------------------------------------------------------------- */
 
-PairCoulshield::~PairCoulshield()
+PairCoulShield::~PairCoulShield()
 {
   if (allocated) {
     memory->destroy(setflag);
@@ -55,7 +56,7 @@ PairCoulshield::~PairCoulshield()
 
 /* ---------------------------------------------------------------------- */
 
-void PairCoulshield::compute(int eflag, int vflag)
+void PairCoulShield::compute(int eflag, int vflag)
 {
   int i,j,ii,jj,inum,jnum,itype,jtype;
   double qtmp,xtmp,ytmp,ztmp,delx,dely,delz,ecoul,fpair,Tap,dTap;
@@ -107,15 +108,16 @@ void PairCoulshield::compute(int eflag, int vflag)
       // only include the interation between different layers
       if (rsq < cutsq[itype][jtype] && atom->molecule[i] != atom->molecule[j]) {
         r = sqrt(rsq);
-	r3 = rsq*r;
+        r3 = rsq*r;
         rarg = 1.0/sigmae[itype][jtype];
-        th = r3 + pow(rarg,3.0);
+        th = r3 + MathSpecial::cube(rarg);
         epsr = 1.0/pow(th,0.333333333333333333333333);
-        depsdr = pow(epsr,4.0);
-	Vc = qqrd2e*qtmp*q[j]*epsr;
+        depsdr = MathSpecial::square(epsr);
+        depsdr *= depsdr;
+        Vc = qqrd2e*qtmp*q[j]*epsr;
 
-	// turn on/off Tapper function
-        if (Tapflag) {
+        // turn on/off taper function
+        if (tap_flag) {
           Tap = calc_Tap(r,sqrt(cutsq[itype][jtype]));
           dTap = calc_dTap(r,sqrt(cutsq[itype][jtype]));
         } else {Tap = 1.0; dTap = 0.0;}
@@ -134,8 +136,8 @@ void PairCoulshield::compute(int eflag, int vflag)
         }
 
         if (eflag) {
-	  if (Tapflag) ecoul = Vc*Tap;
-	  else ecoul = Vc - offset[itype][jtype];
+          if (tap_flag) ecoul = Vc*Tap;
+          else ecoul = Vc - offset[itype][jtype];
           ecoul *= factor_coul;
         }
 
@@ -152,7 +154,7 @@ void PairCoulshield::compute(int eflag, int vflag)
    allocate all arrays
 ------------------------------------------------------------------------- */
 
-void PairCoulshield::allocate()
+void PairCoulShield::allocate()
 {
   allocated = 1;
   int n = atom->ntypes;
@@ -165,7 +167,6 @@ void PairCoulshield::allocate()
   memory->create(cutsq,n+1,n+1,"pair:cutsq");
   memory->create(cut,n+1,n+1,"pair:cut");
   memory->create(sigmae,n+1,n+1,"pair:sigmae");
-  //memory->create(rme,n+1,n+1,"pair:rme");
   memory->create(offset,n+1,n+1,"pair:offset");
 }
 
@@ -173,12 +174,12 @@ void PairCoulshield::allocate()
    global settings
 ------------------------------------------------------------------------- */
 
-void PairCoulshield::settings(int narg, char **arg)
+void PairCoulShield::settings(int narg, char **arg)
 {
   if (narg < 1 || narg > 2) error->all(FLERR,"Illegal pair_style command");
 
   cut_global = force->numeric(FLERR,arg[0]);
-  if (narg == 2) Tapflag = force->numeric(FLERR,arg[1]);
+  if (narg == 2) tap_flag = force->numeric(FLERR,arg[1]);
 
   // reset cutoffs that have been explicitly set
 
@@ -194,7 +195,7 @@ void PairCoulshield::settings(int narg, char **arg)
    set coeffs for one or more type pairs
 ------------------------------------------------------------------------- */
 
-void PairCoulshield::coeff(int narg, char **arg)
+void PairCoulShield::coeff(int narg, char **arg)
 {
   if (narg < 3 || narg > 4) error->all(FLERR,"Incorrect args for pair coefficients");
   if (!allocated) allocate();
@@ -226,7 +227,7 @@ void PairCoulshield::coeff(int narg, char **arg)
    init specific to this pair style
 ------------------------------------------------------------------------- */
 
-void PairCoulshield::init_style()
+void PairCoulShield::init_style()
 {
   if (!atom->q_flag)
     error->all(FLERR,"Pair style coul/shield requires atom attribute q");
@@ -238,7 +239,7 @@ void PairCoulshield::init_style()
    init for one type pair i,j and corresponding j,i
 ------------------------------------------------------------------------- */
 
-double PairCoulshield::init_one(int i, int j)
+double PairCoulShield::init_one(int i, int j)
 {
   if (setflag[i][j] == 0) {
     error->all(FLERR,"for pair style coul/shield, parameters need to be set explicitly for all pairs.");
@@ -252,7 +253,7 @@ double PairCoulshield::init_one(int i, int j)
      r = cut[i][j];
      r3 = r*r*r;
      rarg = 1.0/sigmae[i][j];
-     th = r3 + pow(rarg,3.0);
+     th = r3 + MathSpecial::cube(rarg);
      epsr = 1.0/pow(th,0.333333333333333333);
      offset[i][j] = qqrd2e*q[i]*q[j]*epsr;
   } else offset[i][j] = 0.0;
@@ -269,7 +270,7 @@ double PairCoulshield::init_one(int i, int j)
   proc 0 writes to restart file
 ------------------------------------------------------------------------- */
 
-void PairCoulshield::write_restart(FILE *fp)
+void PairCoulShield::write_restart(FILE *fp)
 {
   write_restart_settings(fp);
 
@@ -288,7 +289,7 @@ void PairCoulshield::write_restart(FILE *fp)
   proc 0 reads from restart file, bcasts
 ------------------------------------------------------------------------- */
 
-void PairCoulshield::read_restart(FILE *fp)
+void PairCoulShield::read_restart(FILE *fp)
 {
   read_restart_settings(fp);
   allocate();
@@ -312,7 +313,7 @@ void PairCoulshield::read_restart(FILE *fp)
   proc 0 writes to restart file
 ------------------------------------------------------------------------- */
 
-void PairCoulshield::write_restart_settings(FILE *fp)
+void PairCoulShield::write_restart_settings(FILE *fp)
 {
   fwrite(&cut_global,sizeof(double),1,fp);
   fwrite(&offset_flag,sizeof(int),1,fp);
@@ -323,7 +324,7 @@ void PairCoulshield::write_restart_settings(FILE *fp)
   proc 0 reads from restart file, bcasts
 ------------------------------------------------------------------------- */
 
-void PairCoulshield::read_restart_settings(FILE *fp)
+void PairCoulShield::read_restart_settings(FILE *fp)
 {
   if (comm->me == 0) {
     fread(&cut_global,sizeof(double),1,fp);
@@ -337,7 +338,7 @@ void PairCoulshield::read_restart_settings(FILE *fp)
 
 /* ---------------------------------------------------------------------- */
 
-double PairCoulshield::single(int i, int j, int itype, int jtype,
+double PairCoulShield::single(int i, int j, int itype, int jtype,
                            double rsq, double factor_coul, double factor_lj,
                            double &fforce)
 {
@@ -349,13 +350,14 @@ double PairCoulshield::single(int i, int j, int itype, int jtype,
    r = sqrt(rsq);
    r3 = rsq*r;
    rarg = 1.0/sigmae[itype][jtype];
-   th = r3 + pow(rarg,3.0);
+   th = r3 + MathSpecial::cube(rarg);
    epsr = 1.0/pow(th,0.333333333333333333);
-   depsdr = pow(epsr,4.0);
+   depsdr = epsr*epsr;
+   depsdr *= depsdr;
    Vc = qqrd2e*q[i]*q[j]*epsr;
 
-   // turn on/off Tapper function
-   if (Tapflag) {
+   // turn on/off taper function
+   if (tap_flag) {
      Tap = calc_Tap(r,sqrt(cutsq[itype][jtype]));
      dTap = calc_dTap(r,sqrt(cutsq[itype][jtype]));
    } else {Tap = 1.0; dTap = 0.0;}
@@ -364,7 +366,7 @@ double PairCoulshield::single(int i, int j, int itype, int jtype,
    fvc = forcecoul*Tap - Vc*dTap/r;
    fforce = factor_coul*fvc;
 
-  if (Tapflag) phishieldec = factor_coul*Vc*Tap;
+  if (tap_flag) phishieldec = factor_coul*Vc*Tap;
   else phishieldec = Vc - offset[itype][jtype];
   return factor_coul*phishieldec;
 }
diff --git a/src/USER-MISC/pair_coul_shield.h b/src/USER-MISC/pair_coul_shield.h
index 1d2b7b526a..d2cc3c3e84 100644
--- a/src/USER-MISC/pair_coul_shield.h
+++ b/src/USER-MISC/pair_coul_shield.h
@@ -13,7 +13,7 @@
 
 #ifdef PAIR_CLASS
 
-PairStyle(coul/shield,PairCoulshield)
+PairStyle(coul/shield,PairCoulShield)
 
 #else
 
@@ -24,10 +24,10 @@ PairStyle(coul/shield,PairCoulshield)
 
 namespace LAMMPS_NS {
 
-class PairCoulshield : public Pair {
+class PairCoulShield : public Pair {
  public:
-  PairCoulshield(class LAMMPS *);
-  virtual ~PairCoulshield();
+  PairCoulShield(class LAMMPS *);
+  virtual ~PairCoulShield();
 
   virtual void compute(int, int);
 
@@ -47,7 +47,7 @@ class PairCoulshield : public Pair {
   double **cut;
   double **sigmae, **offset;
   //double a_eps, b_eps, eps_s;
-  int Tapflag;
+  int tap_flag;
 
   void allocate();
 
diff --git a/src/USER-MISC/pair_ilp_gr_hBN.cpp b/src/USER-MISC/pair_ilp_graphene_hbn.cpp
similarity index 90%
rename from src/USER-MISC/pair_ilp_gr_hBN.cpp
rename to src/USER-MISC/pair_ilp_graphene_hbn.cpp
index c60262d1d5..a11b3b1251 100644
--- a/src/USER-MISC/pair_ilp_gr_hBN.cpp
+++ b/src/USER-MISC/pair_ilp_graphene_hbn.cpp
@@ -1,1117 +1,1111 @@
-/* ----------------------------------------------------------------------
-   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
-   http://lammps.sandia.gov, Sandia National Laboratories
-   Steve Plimpton, sjplimp@sandia.gov
-
-   Copyright (2003) Sandia Corporation.  Under the terms of Contract
-   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
-   certain rights in this software.  This software is distributed under the GNU General Public License.
-
-   See the README file in the top-level LAMMPS directory.
-------------------------------------------------------------------------- */
-
-/* ----------------------------------------------------------------------
-   Contributing author: Wengen Ouyang (Tel Aviv University)
-   e-mail: w.g.ouyang at gmail dot com
-  
-   This is a full version of the potential described in
-   [Maaravi et al, J. Phys. Chem. C 121, 22826-22835 (2017)]
-   The definition of normals are the same as that in
-   [Kolmogorov & Crespi, Phys. Rev. B 71, 235415 (2005)]
-------------------------------------------------------------------------- */
-
-#include <math.h>
-#include <stdio.h>
-#include <stdlib.h>
-#include <string.h>
-#include <mpi.h>
-#include "pair_ilp_gr_hBN.h"
-#include "atom.h"
-#include "comm.h"
-#include "force.h"
-#include "neighbor.h"
-#include "neigh_list.h"
-#include "neigh_request.h"
-#include "my_page.h"
-#include "memory.h"
-#include "error.h"
-
-using namespace LAMMPS_NS;
-
-#define MAXLINE 1024
-#define DELTA 4
-#define PGDELTA 1
-
-/* ---------------------------------------------------------------------- */
-
-PairILP::PairILP(LAMMPS *lmp) : Pair(lmp)
-{
-  writedata = 1;
-
-  // initialize element to parameter maps
-  nelements = 0;
-  elements = NULL;
-  nparams = maxparam = 0;
-  params = NULL;
-  elem2param = NULL;
-  cutILPsq = NULL;
-  map = NULL;
-
-  nmax = 0;
-  maxlocal = 0;
-  ILP_numneigh = NULL;
-  ILP_firstneigh = NULL;
-  ipage = NULL;
-  pgsize = oneatom = 0;
-
-  normal = NULL;
-  dnormal = NULL;
-  dnormdri = NULL;
-
-  // always compute energy offset
-  offset_flag = 1;
-
-  // set comm size needed by this Pair
-  comm_forward = 39;
-  tap_flag = 1;
-}
-
-/* ---------------------------------------------------------------------- */
-
-PairILP::~PairILP()
-{
-  memory->destroy(ILP_numneigh);
-  memory->sfree(ILP_firstneigh);
-  delete [] ipage;
-  memory->destroy(normal);
-  memory->destroy(dnormal);
-  memory->destroy(dnormdri);
-  
-  if (allocated) {
-    memory->destroy(setflag);
-    memory->destroy(cutsq);
-    memory->destroy(cut);
-    memory->destroy(offset);
-  }
-
-  if (elements)
-    for (int i = 0; i < nelements; i++) delete [] elements[i];
-  delete [] elements;
-  memory->destroy(params);
-  memory->destroy(elem2param);
-  memory->destroy(cutILPsq);
-  if (allocated) delete [] map;
-}
-
-/* ---------------------------------------------------------------------- */
-
-void PairILP::compute(int eflag, int vflag)
-{
-  int i,j,ii,jj,inum,jnum,itype,jtype,id,k,l,kk,ll;
-  tagint itag,jtag;
-  double prodnorm1,prodnorm2,fkcx,fkcy,fkcz;
-  double xtmp,ytmp,ztmp,delx,dely,delz,evdwl,fpair,fpair1,fpair2;
-  double rsq,r,Rcut,rhosq1,rhosq2,exp0,exp1,exp2,r2inv,r6inv,r8inv,Tap,dTap,Vkc;
-  double frho1,frho2,TSvdw,TSvdw2inv,Erep,fsum,rdsq1,rdsq2;
-  int *ilist,*jlist,*numneigh,**firstneigh;
-  int *ILP_neighs_i,*ILP_neighs_j;
-  
-  evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
-
-  double **x = atom->x;
-  double **f = atom->f;
-  int *type = atom->type;
-  tagint *tag = atom->tag;
-  int nlocal = atom->nlocal;
-  int newton_pair = force->newton_pair;
-  double dprodnorm1[3] = {0.0, 0.0, 0.0};
-  double dprodnorm2[3] = {0.0, 0.0, 0.0};
-  double fp1[3] = {0.0, 0.0, 0.0};
-  double fp2[3] = {0.0, 0.0, 0.0};
-  double fprod1[3] = {0.0, 0.0, 0.0};
-  double fprod2[3] = {0.0, 0.0, 0.0};
-
-  inum = list->inum;	
-  ilist = list->ilist;  
-  numneigh = list->numneigh; 
-  firstneigh = list->firstneigh;
-  // Build full neighbor list
-  ILP_neigh(); 
-  // Calculate the normals
-  calc_normal();
-
-  // communicate the normal vector and its derivatives
-  comm->forward_comm_pair(this);
-
-  // loop over neighbors of my atoms
-  for (ii = 0; ii < inum; ii++) {
-    i = ilist[ii];
-    itag = tag[i];
-    xtmp = x[i][0];
-    ytmp = x[i][1];
-    ztmp = x[i][2];
-    itype = type[i];
-    jlist = firstneigh[i];
-    jnum = numneigh[i];
-
-    for (jj = 0; jj < jnum; jj++) {
-      j = jlist[jj];
-      j &= NEIGHMASK;
-      jtype = type[j];
-      jtag = tag[j];
-
-      // two-body interactions from full neighbor list, skip half of them
-      if (itag > jtag) {
-        if ((itag+jtag) % 2 == 0) continue;
-      } else if (itag < jtag) {
-        if ((itag+jtag) % 2 == 1) continue;
-      } else {
-        if (x[j][2] < ztmp) continue;
-        if (x[j][2] == ztmp && x[j][1] < ytmp) continue;
-        if (x[j][2] == ztmp && x[j][1] == ytmp && x[j][0] < xtmp) continue;
-      }
-
-      delx = xtmp - x[j][0];
-      dely = ytmp - x[j][1];
-      delz = ztmp - x[j][2];
-      rsq = delx*delx + dely*dely + delz*delz;
-      
-      // only include the interation between different layers
-      if (rsq < cutsq[itype][jtype] && atom->molecule[i] != atom->molecule[j]) {
-
-        int iparam_ij = elem2param[map[itype]][map[jtype]];
-        Param& p = params[iparam_ij];
-
-        r = sqrt(rsq);
-	r2inv = 1.0/rsq;
-        r6inv = r2inv*r2inv*r2inv;
-        r8inv = r6inv*r2inv;
-	// turn on/off Tapper function
-	if (tap_flag) {
-          Rcut = sqrt(cutsq[itype][jtype]);
-	  Tap = calc_Tap(r,Rcut);
-	  dTap = calc_dTap(r,Rcut);
-	} else {Tap = 1.0; dTap = 0.0;}
-
-        // Calculate the transverse distance
-        // note that rho_ij does not equal to rho_ji except when normals are all along z
-        prodnorm1 = normal[i][0]*delx + normal[i][1]*dely + normal[i][2]*delz;
-        prodnorm2 = normal[j][0]*delx + normal[j][1]*dely + normal[j][2]*delz;
-        rhosq1 = rsq - prodnorm1*prodnorm1;  // rho_ij
-        rhosq2 = rsq - prodnorm2*prodnorm2;  // rho_ji
-        rdsq1 = rhosq1*p.delta2inv; // (rho_ij/delta)^2
-        rdsq2 = rhosq2*p.delta2inv; // (rho_ji/delta)^2
-
-        // store exponents
-        exp0 = exp(-p.lambda*(r-p.z0));
-        exp1 = exp(-rdsq1);
-        exp2 = exp(-rdsq2);
-
-	TSvdw = 1.0 + exp(-p.d*(r/p.seff - 1.0));
-	TSvdw2inv = 1.0/pow(TSvdw,2.0);
-        frho1 = exp1*p.C;
-        frho2 = exp2*p.C;
-        Erep = p.epsilon + frho1 + frho2;
-	Vkc = -p.C6*r6inv/TSvdw + exp0*Erep;
-
-        // derivatives
-        fpair = -6.0*p.C6*r8inv/TSvdw + p.d/p.seff*p.C6*(TSvdw-1.0)*TSvdw2inv*r8inv*r + p.lambda*exp0/r*Erep;
-        fpair1 = 2.0*exp0*frho1*p.delta2inv;
-        fpair2 = 2.0*exp0*frho2*p.delta2inv;
-        fsum = fpair + fpair1 + fpair2;
-	// derivatives of the product of rij and ni, the result is a vector
-        dprodnorm1[0] = dnormdri[0][0][i]*delx + dnormdri[1][0][i]*dely + dnormdri[2][0][i]*delz;
-        dprodnorm1[1] = dnormdri[0][1][i]*delx + dnormdri[1][1][i]*dely + dnormdri[2][1][i]*delz;
-        dprodnorm1[2] = dnormdri[0][2][i]*delx + dnormdri[1][2][i]*dely + dnormdri[2][2][i]*delz;
-        // derivatives of the product of rji and nj, the result is a vector
-        dprodnorm2[0] = dnormdri[0][0][j]*delx + dnormdri[1][0][j]*dely + dnormdri[2][0][j]*delz;
-        dprodnorm2[1] = dnormdri[0][1][j]*delx + dnormdri[1][1][j]*dely + dnormdri[2][1][j]*delz;
-        dprodnorm2[2] = dnormdri[0][2][j]*delx + dnormdri[1][2][j]*dely + dnormdri[2][2][j]*delz;
-        fp1[0] = prodnorm1*normal[i][0]*fpair1;
-        fp1[1] = prodnorm1*normal[i][1]*fpair1;
-        fp1[2] = prodnorm1*normal[i][2]*fpair1;
-        fp2[0] = prodnorm2*normal[j][0]*fpair2;
-        fp2[1] = prodnorm2*normal[j][1]*fpair2;
-        fp2[2] = prodnorm2*normal[j][2]*fpair2;
-        fprod1[0] = prodnorm1*dprodnorm1[0]*fpair1;
-        fprod1[1] = prodnorm1*dprodnorm1[1]*fpair1;
-        fprod1[2] = prodnorm1*dprodnorm1[2]*fpair1;
-        fprod2[0] = prodnorm2*dprodnorm2[0]*fpair2;
-        fprod2[1] = prodnorm2*dprodnorm2[1]*fpair2;
-        fprod2[2] = prodnorm2*dprodnorm2[2]*fpair2;
-        fkcx = (delx*fsum - fp1[0] - fp2[0])*Tap - Vkc*dTap*delx/r;
-        fkcy = (dely*fsum - fp1[1] - fp2[1])*Tap - Vkc*dTap*dely/r; 
-        fkcz = (delz*fsum - fp1[2] - fp2[2])*Tap - Vkc*dTap*delz/r; 
-
-        f[i][0] += fkcx - fprod1[0]*Tap;
-        f[i][1] += fkcy - fprod1[1]*Tap;
-        f[i][2] += fkcz - fprod1[2]*Tap;
-        if (newton_pair || j < nlocal) {
-          f[j][0] -= fkcx + fprod2[0]*Tap;
-          f[j][1] -= fkcy + fprod2[1]*Tap;
-          f[j][2] -= fkcz + fprod2[2]*Tap;
-        }
-
-	// calculate the forces acted on the neighbors of atom i from atom j
-	ILP_neighs_i = ILP_firstneigh[i];
-  	for (kk = 0; kk < ILP_numneigh[i]; kk++) {
-	  k = ILP_neighs_i[kk];
-          if (k == i) continue;
-          // derivatives of the product of rij and ni respect to rk, k=0,1,2, where atom k is the neighbors of atom i
-          dprodnorm1[0] = dnormal[0][0][kk][i]*delx + dnormal[1][0][kk][i]*dely + dnormal[2][0][kk][i]*delz;
-          dprodnorm1[1] = dnormal[0][1][kk][i]*delx + dnormal[1][1][kk][i]*dely + dnormal[2][1][kk][i]*delz;
-          dprodnorm1[2] = dnormal[0][2][kk][i]*delx + dnormal[1][2][kk][i]*dely + dnormal[2][2][kk][i]*delz;
-	  f[k][0] += (-prodnorm1*dprodnorm1[0]*fpair1)*Tap;
-	  f[k][1] += (-prodnorm1*dprodnorm1[1]*fpair1)*Tap;
-	  f[k][2] += (-prodnorm1*dprodnorm1[2]*fpair1)*Tap;
-	}
-
-	// calculate the forces acted on the neighbors of atom j from atom i
-	ILP_neighs_j = ILP_firstneigh[j];
-  	for (ll = 0; ll < ILP_numneigh[j]; ll++) {
-	  l = ILP_neighs_j[ll];
-          if (l == j) continue;
-          if (newton_pair || l < nlocal) {
-            // derivatives of the product of rji and nj respect to rl, l=0,1,2, where atom l is the neighbors of atom j
-            dprodnorm2[0] = dnormal[0][0][ll][j]*delx + dnormal[1][0][ll][j]*dely + dnormal[2][0][ll][j]*delz;
-            dprodnorm2[1] = dnormal[0][1][ll][j]*delx + dnormal[1][1][ll][j]*dely + dnormal[2][1][ll][j]*delz;
-            dprodnorm2[2] = dnormal[0][2][ll][j]*delx + dnormal[1][2][ll][j]*dely + dnormal[2][2][ll][j]*delz;
-	    f[l][0] += (-prodnorm2*dprodnorm2[0]*fpair2)*Tap;
-	    f[l][1] += (-prodnorm2*dprodnorm2[1]*fpair2)*Tap;
-	    f[l][2] += (-prodnorm2*dprodnorm2[2]*fpair2)*Tap;
-	  }
-	}
-
-        if (eflag) {
-          if (tap_flag) evdwl = Tap*Vkc;
-          else  evdwl = Vkc - offset[itype][jtype];
-        }
-
-        if (evflag){
-          ev_tally_xyz(i,j,nlocal,newton_pair,evdwl,0,
-                       fkcx,fkcy,fkcz,delx,dely,delz);
-        }
-      }
-    }
-  }
-  if (vflag_fdotr) virial_fdotr_compute();
-}
-
-/* ----------------------------------------------------------------------
-   Calculate the normals for each atom
-------------------------------------------------------------------------- */
-void PairILP::calc_normal()
-{
-  int i,j,ii,jj,inum,jnum,itype,jtype;
-  int cont,k,kk,cont1,id,ip,m;
-  tagint itag,jtag;
-  double dist,nn,xtp,ytp,ztp,delx,dely,delz,nn2;
-  int *ilist,*jlist;
-  double pv12[3],pv31[3],pv23[3],n1[3],dni[3],dnn[3][3],vet[3][3],dpvdri[3][3];
-  double dn1[3][3][3],dpv12[3][3][3],dpv23[3][3][3],dpv31[3][3][3];
-
-  double **x = atom->x;
-  int *type = atom->type;
-  int ntypes = atom->ntypes;
-  int nlocal = atom->nlocal;
-  tagint *tag = atom->tag;
-  
-  // grow normal array if necessary
-
-  if (atom->nmax > nmax) {
-    memory->destroy(normal);
-    memory->destroy(dnormal);
-    memory->destroy(dnormdri);
-    nmax = atom->nmax;
-    memory->create(normal,nmax,3,"ILP:normal");
-    memory->create(dnormdri,3,3,nmax,"ILP:dnormdri");
-    memory->create(dnormal,3,3,3,nmax,"ILP:dnormal");
-  }
-
-  inum = list->inum;	
-  ilist = list->ilist;  
-  //Calculate normals
-  for (ii = 0; ii < inum; ii++) {
-    i = ilist[ii];
-    xtp = x[i][0];
-    ytp = x[i][1];
-    ztp = x[i][2];
-    itype = type[i];
-
-    //   Initialize the arrays
-    for (id = 0; id < 3; id++){
-      pv12[id] = 0.0;
-      pv31[id] = 0.0;
-      pv23[id] = 0.0;
-      n1[id] = 0.0;
-      dni[id] = 0.0;
-      normal[i][id] = 0.0;
-      for (ip = 0; ip < 3; ip++){
-        vet[ip][id] = 0.0;
-        dnn[ip][id] = 0.0;
-        dpvdri[ip][id] = 0.0;
-        dnormdri[ip][id][i] = 0.0;
-        for (m = 0; m < 3; m++){
-          dpv12[ip][id][m] = 0.0;
-          dpv31[ip][id][m] = 0.0;
-          dpv23[ip][id][m] = 0.0;
-          dn1[ip][id][m] = 0.0;
-          dnormal[ip][id][m][i] = 0.0;
-        }
-      }
-    }
-
-    cont = 0;
-    jlist = ILP_firstneigh[i];
-    jnum = ILP_numneigh[i];
-    for (jj = 0; jj < jnum; jj++) {
-      j = jlist[jj];
-      j &= NEIGHMASK;
-      
-      delx = x[j][0] - xtp;
-      dely = x[j][1] - ytp;
-      delz = x[j][2] - ztp;
-      vet[cont][0] = delx;
-      vet[cont][1] = dely;
-      vet[cont][2] = delz;
-      cont++;
-    }
-
-    if (cont <= 1) { 
-      normal[i][0] = 0.0;
-      normal[i][1] = 0.0;
-      normal[i][2] = 1.0;
-      for (id = 0; id < 3; id++){
-        for (ip = 0; ip < 3; ip++){
-          dnormdri[id][ip][i] = 0.0;
-          for (m = 0; m < 3; m++){
-            dnormal[id][ip][m][i] = 0.0;
-          }
-        } 
-      }
-    }
-    else if (cont == 2) {
-      pv12[0] = vet[0][1]*vet[1][2] - vet[1][1]*vet[0][2];
-      pv12[1] = vet[0][2]*vet[1][0] - vet[1][2]*vet[0][0];
-      pv12[2] = vet[0][0]*vet[1][1] - vet[1][0]*vet[0][1];
-      // derivatives of pv12[0] to ri
-      dpvdri[0][0] = 0.0;
-      dpvdri[0][1] = vet[0][2]-vet[1][2];
-      dpvdri[0][2] = vet[1][1]-vet[0][1];
-      // derivatives of pv12[1] to ri
-      dpvdri[1][0] = vet[1][2]-vet[0][2];
-      dpvdri[1][1] = 0.0;
-      dpvdri[1][2] = vet[0][0]-vet[1][0];
-      // derivatives of pv12[2] to ri
-      dpvdri[2][0] = vet[0][1]-vet[1][1];
-      dpvdri[2][1] = vet[1][0]-vet[0][0];
-      dpvdri[2][2] = 0.0;
-
-      dpv12[0][0][0] =  0.0;
-      dpv12[0][1][0] =  vet[1][2];
-      dpv12[0][2][0] = -vet[1][1];
-      dpv12[1][0][0] = -vet[1][2];
-      dpv12[1][1][0] =  0.0;
-      dpv12[1][2][0] =  vet[1][0];
-      dpv12[2][0][0] =  vet[1][1];
-      dpv12[2][1][0] = -vet[1][0];
-      dpv12[2][2][0] =  0.0;
-      
-      // derivatives respect to the second neighbor, atom l
-      dpv12[0][0][1] =  0.0;
-      dpv12[0][1][1] = -vet[0][2];
-      dpv12[0][2][1] =  vet[0][1];
-      dpv12[1][0][1] =  vet[0][2];
-      dpv12[1][1][1] =  0.0;
-      dpv12[1][2][1] = -vet[0][0];
-      dpv12[2][0][1] = -vet[0][1];
-      dpv12[2][1][1] =  vet[0][0];
-      dpv12[2][2][1] =  0.0;
-
-      // derivatives respect to the third neighbor, atom n
-      // derivatives of pv12 to rn is zero
-      for (id = 0; id < 3; id++){
-        for (ip = 0; ip < 3; ip++){
-          dpv12[id][ip][2] = 0.0;
-        } 
-      }
-
-      n1[0] = pv12[0];
-      n1[1] = pv12[1];
-      n1[2] = pv12[2];
-      // the magnitude of the normal vector
-      nn2 = n1[0]*n1[0] + n1[1]*n1[1] + n1[2]*n1[2];
-      nn = sqrt(nn2);
-      if (nn == 0) error->all(FLERR,"The magnitude of the normal vector is zero");
-      // the unit normal vector
-      normal[i][0] = n1[0]/nn;
-      normal[i][1] = n1[1]/nn;
-      normal[i][2] = n1[2]/nn;
-      // derivatives of nn, dnn:3x1 vector
-      dni[0] = (n1[0]*dpvdri[0][0] + n1[1]*dpvdri[1][0] + n1[2]*dpvdri[2][0])/nn;
-      dni[1] = (n1[0]*dpvdri[0][1] + n1[1]*dpvdri[1][1] + n1[2]*dpvdri[2][1])/nn;
-      dni[2] = (n1[0]*dpvdri[0][2] + n1[1]*dpvdri[1][2] + n1[2]*dpvdri[2][2])/nn;
-      // derivatives of unit vector ni respect to ri, the result is 3x3 matrix
-      for (id = 0; id < 3; id++){
-        for (ip = 0; ip < 3; ip++){
-          dnormdri[id][ip][i] = dpvdri[id][ip]/nn - n1[id]*dni[ip]/nn2;
-        }
-      }
-      // derivatives of non-normalized normal vector, dn1:3x3x3 array
-      for (id = 0; id < 3; id++){
-        for (ip = 0; ip < 3; ip++){
-          for (m = 0; m < 3; m++){
-            dn1[id][ip][m] = dpv12[id][ip][m];
-          }
-        } 
-      }
-      // derivatives of nn, dnn:3x3 vector
-      // dnn[id][m]: the derivative of nn respect to r[id][m], id,m=0,1,2
-      // r[id][m]: the id's component of atom m
-      for (m = 0; m < 3; m++){
-        for (id = 0; id < 3; id++){
-          dnn[id][m] = (n1[0]*dn1[0][id][m] + n1[1]*dn1[1][id][m] + n1[2]*dn1[2][id][m])/nn;
-        }
-      }
-      // dnormal[id][ip][m][i]: the derivative of normal[id] respect to r[ip][m], id,ip=0,1,2
-      // for atom m, which is a neighbor atom of atom i, m=0,jnum-1
-      for (m = 0; m < 3; m++){
-        for (id = 0; id < 3; id++){
-          for (ip = 0; ip < 3; ip++){
-            dnormal[id][ip][m][i] = dn1[id][ip][m]/nn - n1[id]*dnn[ip][m]/nn2;
-          }
-        }
-      }
-    }
-//##############################################################################################
-
-    else if(cont == 3) {
-      pv12[0] = vet[0][1]*vet[1][2] - vet[1][1]*vet[0][2];
-      pv12[1] = vet[0][2]*vet[1][0] - vet[1][2]*vet[0][0];
-      pv12[2] = vet[0][0]*vet[1][1] - vet[1][0]*vet[0][1];
-      // derivatives respect to the first neighbor, atom k
-      dpv12[0][0][0] =  0.0;
-      dpv12[0][1][0] =  vet[1][2];
-      dpv12[0][2][0] = -vet[1][1];
-      dpv12[1][0][0] = -vet[1][2];
-      dpv12[1][1][0] =  0.0;
-      dpv12[1][2][0] =  vet[1][0];
-      dpv12[2][0][0] =  vet[1][1];
-      dpv12[2][1][0] = -vet[1][0];
-      dpv12[2][2][0] =  0.0;
-      // derivatives respect to the second neighbor, atom l
-      dpv12[0][0][1] =  0.0;
-      dpv12[0][1][1] = -vet[0][2];
-      dpv12[0][2][1] =  vet[0][1];
-      dpv12[1][0][1] =  vet[0][2];
-      dpv12[1][1][1] =  0.0;
-      dpv12[1][2][1] = -vet[0][0];
-      dpv12[2][0][1] = -vet[0][1];
-      dpv12[2][1][1] =  vet[0][0];
-      dpv12[2][2][1] =  0.0;
-
-      // derivatives respect to the third neighbor, atom n
-      for (id = 0; id < 3; id++){
-        for (ip = 0; ip < 3; ip++){
-          dpv12[id][ip][2] = 0.0;
-        } 
-      }
-
-      pv31[0] = vet[2][1]*vet[0][2] - vet[0][1]*vet[2][2];
-      pv31[1] = vet[2][2]*vet[0][0] - vet[0][2]*vet[2][0];
-      pv31[2] = vet[2][0]*vet[0][1] - vet[0][0]*vet[2][1];
-      // derivatives respect to the first neighbor, atom k
-      dpv31[0][0][0] =  0.0;
-      dpv31[0][1][0] = -vet[2][2];
-      dpv31[0][2][0] =  vet[2][1];
-      dpv31[1][0][0] =  vet[2][2];
-      dpv31[1][1][0] =  0.0;
-      dpv31[1][2][0] = -vet[2][0];
-      dpv31[2][0][0] = -vet[2][1];
-      dpv31[2][1][0] =  vet[2][0];
-      dpv31[2][2][0] =  0.0;
-      // derivatives respect to the third neighbor, atom n
-      dpv31[0][0][2] =  0.0;
-      dpv31[0][1][2] =  vet[0][2];
-      dpv31[0][2][2] = -vet[0][1];
-      dpv31[1][0][2] = -vet[0][2];
-      dpv31[1][1][2] =  0.0;
-      dpv31[1][2][2] =  vet[0][0];
-      dpv31[2][0][2] =  vet[0][1];
-      dpv31[2][1][2] = -vet[0][0];
-      dpv31[2][2][2] =  0.0;
-      // derivatives respect to the second neighbor, atom l
-      for (id = 0; id < 3; id++){
-        for (ip = 0; ip < 3; ip++){
-          dpv31[id][ip][1] = 0.0;
-        } 
-      }
-
-      pv23[0] = vet[1][1]*vet[2][2] - vet[2][1]*vet[1][2];
-      pv23[1] = vet[1][2]*vet[2][0] - vet[2][2]*vet[1][0];
-      pv23[2] = vet[1][0]*vet[2][1] - vet[2][0]*vet[1][1];
-      // derivatives respect to the second neighbor, atom k
-      for (id = 0; id < 3; id++){
-        for (ip = 0; ip < 3; ip++){
-          dpv23[id][ip][0] = 0.0;
-        } 
-      }
-      // derivatives respect to the second neighbor, atom l
-      dpv23[0][0][1] =  0.0;
-      dpv23[0][1][1] =  vet[2][2];
-      dpv23[0][2][1] = -vet[2][1];
-      dpv23[1][0][1] = -vet[2][2];
-      dpv23[1][1][1] =  0.0;
-      dpv23[1][2][1] =  vet[2][0];
-      dpv23[2][0][1] =  vet[2][1];
-      dpv23[2][1][1] = -vet[2][0];
-      dpv23[2][2][1] =  0.0;
-      // derivatives respect to the third neighbor, atom n
-      dpv23[0][0][2] =  0.0;
-      dpv23[0][1][2] = -vet[1][2];
-      dpv23[0][2][2] =  vet[1][1];
-      dpv23[1][0][2] =  vet[1][2];
-      dpv23[1][1][2] =  0.0;
-      dpv23[1][2][2] = -vet[1][0];
-      dpv23[2][0][2] = -vet[1][1];
-      dpv23[2][1][2] =  vet[1][0];
-      dpv23[2][2][2] =  0.0;
-
-//############################################################################################
-      // average the normal vectors by using the 3 neighboring planes
-      n1[0] = (pv12[0] + pv31[0] + pv23[0])/cont;
-      n1[1] = (pv12[1] + pv31[1] + pv23[1])/cont;
-      n1[2] = (pv12[2] + pv31[2] + pv23[2])/cont;
-      // the magnitude of the normal vector
-      nn2 = n1[0]*n1[0] + n1[1]*n1[1] + n1[2]*n1[2];
-      nn = sqrt(nn2);
-      if (nn == 0) error->all(FLERR,"The magnitude of the normal vector is zero");
-      // the unit normal vector
-      normal[i][0] = n1[0]/nn;
-      normal[i][1] = n1[1]/nn;
-      normal[i][2] = n1[2]/nn;
-
-      // for the central atoms, dnormdri is always zero
-      for (id = 0; id < 3; id++){
-        for (ip = 0; ip < 3; ip++){
-          dnormdri[id][ip][i] = 0.0;
-        }
-      } 
-
-      // derivatives of non-normalized normal vector, dn1:3x3x3 array
-      for (id = 0; id < 3; id++){
-        for (ip = 0; ip < 3; ip++){
-          for (m = 0; m < 3; m++){
-            dn1[id][ip][m] = (dpv12[id][ip][m] + dpv23[id][ip][m] + dpv31[id][ip][m])/cont;
-          }
-        } 
-      }
-      // derivatives of nn, dnn:3x3 vector
-      // dnn[id][m]: the derivative of nn respect to r[id][m], id,m=0,1,2
-      // r[id][m]: the id's component of atom m
-      for (m = 0; m < 3; m++){
-        for (id = 0; id < 3; id++){
-          dnn[id][m] = (n1[0]*dn1[0][id][m] + n1[1]*dn1[1][id][m] + n1[2]*dn1[2][id][m])/nn;
-        }
-      }
-      // dnormal[id][ip][m][i]: the derivative of normal[id] respect to r[ip][m], id,ip=0,1,2
-      // for atom m, which is a neighbor atom of atom i, m=0,jnum-1
-      for (m = 0; m < 3; m++){
-        for (id = 0; id < 3; id++){
-          for (ip = 0; ip < 3; ip++){
-            dnormal[id][ip][m][i] = dn1[id][ip][m]/nn - n1[id]*dnn[ip][m]/nn2;
-          }
-        }
-      }
-    }
-    else {
-      error->all(FLERR,"There are too many neighbors for calculating normals");
-    }
-
-//##############################################################################################
-  }
-}
-
-/* ----------------------------------------------------------------------
-   init specific to this pair style
-------------------------------------------------------------------------- */
-
-void PairILP::init_style()
-{
-  if (force->newton_pair == 0)
-    error->all(FLERR,"Pair style ILP requires newton pair on");
-
-  // need a full neighbor list, including neighbors of ghosts
-
-  int irequest = neighbor->request(this,instance_me);
-  neighbor->requests[irequest]->half = 0;
-  neighbor->requests[irequest]->full = 1;
-  neighbor->requests[irequest]->ghost = 1;
-
-  // local ILP neighbor list
-  // create pages if first time or if neighbor pgsize/oneatom has changed
-
-  int create = 0;
-  if (ipage == NULL) create = 1;
-  if (pgsize != neighbor->pgsize) create = 1;
-  if (oneatom != neighbor->oneatom) create = 1;
-
-  if (create) {
-    delete [] ipage;
-    pgsize = neighbor->pgsize;
-    oneatom = neighbor->oneatom;
-
-    int nmypage= comm->nthreads;
-    ipage = new MyPage<int>[nmypage];
-    for (int i = 0; i < nmypage; i++)
-      ipage[i].init(oneatom,pgsize,PGDELTA);
-  }
-}
-
-
-/* ----------------------------------------------------------------------
-   create ILP neighbor list from main neighbor list
-   ILP neighbor list stores neighbors of ghost atoms
-   ILP_numneigh for calcualting normals and
-   ILP_pair_numneigh for calculating force
-------------------------------------------------------------------------- */
-
-void PairILP::ILP_neigh()
-{
-  int i,j,ii,jj,n,np,allnum,inum,jnum,itype,jtype;
-  double xtmp,ytmp,ztmp,delx,dely,delz,rsq;
-  int *ilist,*jlist,*numneigh,**firstneigh;
-  int *neighptr;
-
-  double **x = atom->x;
-  int *type = atom->type;
-
-  if (atom->nmax > maxlocal) {
-    maxlocal = atom->nmax;
-    memory->destroy(ILP_numneigh);
-    memory->sfree(ILP_firstneigh);
-    memory->create(ILP_numneigh,maxlocal,"ILP:numneigh");
-    ILP_firstneigh = (int **) memory->smalloc(maxlocal*sizeof(int *),"ILP:firstneigh");
-  }
-
-  inum = list->inum;
-  allnum = list->inum + list->gnum;
-  ilist = list->ilist;
-  numneigh = list->numneigh;
-  firstneigh = list->firstneigh;
-
-  // store all ILP neighs of owned and ghost atoms
-  // scan full neighbor list of I
-
-  ipage->reset();
-
-  for (ii = 0; ii < allnum; ii++) {
-    i = ilist[ii];
-
-    n = 0;
-    neighptr = ipage->vget();
-
-    xtmp = x[i][0];
-    ytmp = x[i][1];
-    ztmp = x[i][2];
-    itype = map[type[i]];
-    jlist = firstneigh[i];
-    jnum = numneigh[i];
-    
-    for (jj = 0; jj < jnum; jj++) {
-      j = jlist[jj];
-      j &= NEIGHMASK;
-      jtype = map[type[j]];
-      delx = xtmp - x[j][0];
-      dely = ytmp - x[j][1];
-      delz = ztmp - x[j][2];
-      rsq = delx*delx + dely*dely + delz*delz;
-
-      if (rsq != 0 && rsq < cutILPsq[itype][jtype] && atom->molecule[i] == atom->molecule[j]) {
-	neighptr[n++] = j;
-      }
-    }
-
-    ILP_firstneigh[i] = neighptr;
-    ILP_numneigh[i] = n;
-    ipage->vgot(n);
-    if (ipage->status())
-      error->one(FLERR,"Neighbor list overflow, boost neigh_modify one");
-  }
-}
-
-
-/* ----------------------------------------------------------------------
-   allocate all arrays
-------------------------------------------------------------------------- */
-
-void PairILP::allocate()
-{
-  allocated = 1;
-  int n = atom->ntypes;
-
-  memory->create(setflag,n+1,n+1,"pair:setflag");
-  for (int i = 1; i <= n; i++)
-    for (int j = i; j <= n; j++)
-      setflag[i][j] = 0;
-
-  memory->create(cutsq,n+1,n+1,"pair:cutsq");
-  memory->create(cut,n+1,n+1,"pair:cut");
-  memory->create(offset,n+1,n+1,"pair:offset");
-  map = new int[atom->ntypes+1];
-}
-
-/* ----------------------------------------------------------------------
-   global settings
-------------------------------------------------------------------------- */
-
-void PairILP::settings(int narg, char **arg)
-{
-  if (narg < 1 || narg > 2) error->all(FLERR,"Illegal pair_style command");
-  if (strcmp(force->pair_style,"hybrid/overlay")!=0)
-    error->all(FLERR,"ERROR: requires hybrid/overlay pair_style");
-
-  cut_global = force->numeric(FLERR,arg[0]);
-  if (narg == 2) tap_flag = force->numeric(FLERR,arg[1]);
-
-  // reset cutoffs that have been explicitly set
-
-  if (allocated) {
-    int i,j;
-    for (i = 1; i <= atom->ntypes; i++)
-      for (j = i; j <= atom->ntypes; j++)
-        if (setflag[i][j]) cut[i][j] = cut_global;
-  }
-}
-
-/* ----------------------------------------------------------------------
-   set coeffs for one or more type pairs
-------------------------------------------------------------------------- */
-
-void PairILP::coeff(int narg, char **arg)
-{
-  int i,j,n; 
-
-  if (narg != 3 + atom->ntypes) 
-    error->all(FLERR,"Incorrect args for pair coefficients");
-  if (!allocated) allocate();
-
-  int ilo,ihi,jlo,jhi;
-  force->bounds(FLERR,arg[0],atom->ntypes,ilo,ihi);
-  force->bounds(FLERR,arg[1],atom->ntypes,jlo,jhi);
-
-  // read args that map atom types to elements in potential file
-  // map[i] = which element the Ith atom type is, -1 if NULL
-  // nelements = # of unique elements
-  // elements = list of element names
-
-  if (elements) {
-    for (i = 0; i < nelements; i++) delete [] elements[i];
-    delete [] elements;
-  }
-  elements = new char*[atom->ntypes];
-  for (i = 0; i < atom->ntypes; i++) elements[i] = NULL;
-
-  nelements = 0;
-  for (i = 3; i < narg; i++) {
-    if (strcmp(arg[i],"NULL") == 0) {
-      map[i-2] = -1;
-      continue;
-    }
-    for (j = 0; j < nelements; j++)
-      if (strcmp(arg[i],elements[j]) == 0) break;
-    map[i-2] = j;
-    if (j == nelements) {
-      n = strlen(arg[i]) + 1;
-      elements[j] = new char[n];
-      strcpy(elements[j],arg[i]);
-      nelements++;
-    }
-  }
-
-
-  read_file(arg[2]);
-  
-  double cut_one = cut_global;
-
-  int count = 0;
-  for (int i = ilo; i <= ihi; i++) {
-    for (int j = MAX(jlo,i); j <= jhi; j++) {
-      cut[i][j] = cut_one;
-      setflag[i][j] = 1;
-      count++;
-    }
-  }
-
-  if (count == 0) error->all(FLERR,"Incorrect args for pair coefficients");
-}
-
-
-/* ----------------------------------------------------------------------
-   init for one type pair i,j and corresponding j,i
-------------------------------------------------------------------------- */
-
-double PairILP::init_one(int i, int j)
-{
-  if (setflag[i][j] == 0) error->all(FLERR,"All pair coeffs are not set");
-
-  if (offset_flag  && (cut[i][j] > 0.0)) {
-    int iparam_ij = elem2param[map[i]][map[j]];
-    Param& p = params[iparam_ij];
-    offset[i][j] = -p.C6*pow(1.0/cut[i][j],6)/(1.0 + exp(-p.d*(cut[i][j]/p.seff - 1.0)));
-  } else offset[i][j] = 0.0;
-  offset[j][i] = offset[i][j];
-
-  return cut[i][j];
-}
-
-/* ----------------------------------------------------------------------
-   read Interlayer potential file
-------------------------------------------------------------------------- */
-
-void PairILP::read_file(char *filename)
-{
-  int params_per_line = 13;
-  char **words = new char*[params_per_line+1];
-  memory->sfree(params);
-  params = NULL;
-  nparams = maxparam = 0;
-
-  // open file on proc 0
-
-  FILE *fp;
-  if (comm->me == 0) {
-    fp = force->open_potential(filename);
-    if (fp == NULL) {
-      char str[128];
-      sprintf(str,"Cannot open ILP potential file %s",filename);
-      error->one(FLERR,str);
-    }
-  }
-
-  // read each line out of file, skipping blank lines or leading '#'
-  // store line of params if all 3 element tags are in element list
-
-  int i,j,n,m,nwords,ielement,jelement;
-  char line[MAXLINE],*ptr;
-  int eof = 0;
-
-  while (1) {
-    if (comm->me == 0) {
-      ptr = fgets(line,MAXLINE,fp);
-      if (ptr == NULL) {
-        eof = 1;
-        fclose(fp);
-      } else n = strlen(line) + 1;
-    }
-    MPI_Bcast(&eof,1,MPI_INT,0,world);
-    if (eof) break;
-    MPI_Bcast(&n,1,MPI_INT,0,world);
-    MPI_Bcast(line,n,MPI_CHAR,0,world);
-
-    // strip comment, skip line if blank
-
-    if ((ptr = strchr(line,'#'))) *ptr = '\0';
-    nwords = atom->count_words(line);
-    if (nwords == 0) continue;
-
-    // concatenate additional lines until have params_per_line words
-
-    while (nwords < params_per_line) {
-      n = strlen(line);
-      if (comm->me == 0) {
-        ptr = fgets(&line[n],MAXLINE-n,fp);
-        if (ptr == NULL) {
-          eof = 1;
-          fclose(fp);
-        } else n = strlen(line) + 1;
-      }
-      MPI_Bcast(&eof,1,MPI_INT,0,world);
-      if (eof) break;
-      MPI_Bcast(&n,1,MPI_INT,0,world);
-      MPI_Bcast(line,n,MPI_CHAR,0,world);
-      if ((ptr = strchr(line,'#'))) *ptr = '\0';
-      nwords = atom->count_words(line);
-    }
-
-    if (nwords != params_per_line)
-      error->all(FLERR,"Insufficient format in ILP potential file");
-
-    // words = ptrs to all words in line
-
-    nwords = 0;
-    words[nwords++] = strtok(line," \t\n\r\f");
-    while ((words[nwords++] = strtok(NULL," \t\n\r\f"))) continue;
-
-    // ielement,jelement = 1st args
-    // if these 2 args are in element list, then parse this line
-    // else skip to next line (continue)
-
-    for (ielement = 0; ielement < nelements; ielement++)
-      if (strcmp(words[0],elements[ielement]) == 0) break;
-    if (ielement == nelements) continue;
-    for (jelement = 0; jelement < nelements; jelement++)
-      if (strcmp(words[1],elements[jelement]) == 0) break;
-    if (jelement == nelements) continue;
-
-    // load up parameter settings and error check their values
-
-    if (nparams == maxparam) {
-      maxparam += DELTA;
-      params = (Param *) memory->srealloc(params,maxparam*sizeof(Param),
-                                          "pair:params");
-    }
-
-    params[nparams].ielement = ielement;
-    params[nparams].jelement = jelement;
-    params[nparams].z0       = atof(words[2]);
-    params[nparams].alpha    = atof(words[3]);
-    params[nparams].delta    = atof(words[4]);
-    params[nparams].epsilon  = atof(words[5]);
-    params[nparams].C        = atof(words[6]);
-    params[nparams].d        = atof(words[7]);
-    params[nparams].sR       = atof(words[8]);
-    params[nparams].reff     = atof(words[9]);
-    params[nparams].C6       = atof(words[10]);
-    // S provides a convenient scaling of all energies
-    params[nparams].S        = atof(words[11]);
-    params[nparams].rcut     = atof(words[12]);
-
-    // energies in meV further scaled by S
-    // S = 43.3634 meV = 1 kcal/mol
-    double meV = 1e-3*params[nparams].S; 
-    params[nparams].C *= meV;
-    params[nparams].C6 *= meV;
-    params[nparams].epsilon *= meV;
-
-    // precompute some quantities
-    params[nparams].delta2inv = pow(params[nparams].delta,-2.0);
-    params[nparams].lambda = params[nparams].alpha/params[nparams].z0;
-    params[nparams].seff = params[nparams].sR * params[nparams].reff;
-
-    nparams++;
-  }
-  memory->destroy(elem2param);
-  memory->destroy(cutILPsq);
-  memory->create(elem2param,nelements,nelements,"pair:elem2param");
-  memory->create(cutILPsq,nelements,nelements,"pair:cutILPsq");
-  for (i = 0; i < nelements; i++) {
-    for (j = 0; j < nelements; j++) {
-      n = -1;
-      for (m = 0; m < nparams; m++) {
-        if (i == params[m].ielement && j == params[m].jelement) {
-          if (n >= 0) error->all(FLERR,"Potential file has duplicate entry");
-          n = m;
-        }
-      }
-      if (n < 0) error->all(FLERR,"Potential file is missing an entry");
-      elem2param[i][j] = n;
-      cutILPsq[i][j] = params[n].rcut*params[n].rcut;
-    }
-  }
-  delete [] words;
-}
-
-/* ---------------------------------------------------------------------- */
-
-double PairILP::single(int i, int j, int itype, int jtype, double rsq,
-                         double factor_coul, double factor_lj,
-                         double &fforce)
-{
-  double r,r2inv,r6inv,r8inv,forcelj,philj,fpair;
-  double Tap,dTap,Vkc,TSvdw,TSvdw2inv;
-
-  int iparam_ij = elem2param[map[itype]][map[jtype]];
-  Param& p = params[iparam_ij];
-
-  r = sqrt(rsq);
-  // turn on/off Tapper function
-  if (tap_flag) {
-    Tap = calc_Tap(r,sqrt(cutsq[itype][jtype]));
-    dTap = calc_dTap(r,sqrt(cutsq[itype][jtype]));
-  } else {Tap = 1.0; dTap = 0.0;}
-
-  r2inv = 1.0/rsq;
-  r6inv = r2inv*r2inv*r2inv;
-  r8inv = r2inv*r6inv;
-
-  TSvdw = 1.0 + exp(-p.d*(r/p.seff - 1.0));
-  TSvdw2inv = pow(TSvdw,-2.0);
-  Vkc = -p.C6*r6inv/TSvdw;
-  // derivatives
-  fpair = -6.0*p.C6*r8inv/TSvdw + p.d/p.seff*p.C6*(TSvdw - 1.0)*r6inv*TSvdw2inv/r;
-  forcelj = fpair;
-  fforce = factor_lj*(forcelj*Tap - Vkc*dTap/r);
-
-  philj = Vkc*Tap;
-  return factor_lj*philj;
-}
-
-
-/* ---------------------------------------------------------------------- */
-
-int PairILP::pack_forward_comm(int n, int *list, double *buf,
-                               int pbc_flag, int *pbc)
-{
-  int i,j,m,id,ip,l;
-
-  m = 0;
-  for (i = 0; i < n; i++) {
-    j = list[i];
-    buf[m++] = normal[j][0];
-    buf[m++] = normal[j][1];
-    buf[m++] = normal[j][2];
-    buf[m++] = dnormdri[0][0][j];
-    buf[m++] = dnormdri[0][1][j];
-    buf[m++] = dnormdri[0][2][j];
-    buf[m++] = dnormdri[1][0][j];
-    buf[m++] = dnormdri[1][1][j];
-    buf[m++] = dnormdri[1][2][j];
-    buf[m++] = dnormdri[2][0][j];
-    buf[m++] = dnormdri[2][1][j];
-    buf[m++] = dnormdri[2][2][j];
-    for (l = 0; l < 3; l++){
-      for (id = 0; id < 3; id++){
-        for (ip = 0; ip < 3; ip++){
-	  buf[m++] = dnormal[id][ip][l][j];
-        }
-      }
-    }
-  }
-  return m;
-}
-
-/* ---------------------------------------------------------------------- */
-
-void PairILP::unpack_forward_comm(int n, int first, double *buf)
-{
-  int i,m,last,id,ip,l;
-
-  m = 0;
-  last = first + n; 
-  for (i = first; i < last; i++) {
-    normal[i][0] = buf[m++];
-    normal[i][1] = buf[m++];
-    normal[i][2] = buf[m++];
-    dnormdri[0][0][i] = buf[m++];
-    dnormdri[0][1][i] = buf[m++];
-    dnormdri[0][2][i] = buf[m++];
-    dnormdri[1][0][i] = buf[m++];
-    dnormdri[1][1][i] = buf[m++];
-    dnormdri[1][2][i] = buf[m++];
-    dnormdri[2][0][i] = buf[m++];
-    dnormdri[2][1][i] = buf[m++];
-    dnormdri[2][2][i] = buf[m++];
-    for (l = 0; l < 3; l++){
-      for (id = 0; id < 3; id++){
-        for (ip = 0; ip < 3; ip++){
-	  dnormal[id][ip][l][i] = buf[m++];
-        }
-      }
-    }
-  }
-}
-
-/* ---------------------------------------------------------------------- */
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+/* ----------------------------------------------------------------------
+   Contributing author: Wengen Ouyang (Tel Aviv University)
+   e-mail: w.g.ouyang at gmail dot com
+
+   This is a full version of the potential described in
+   [Maaravi et al, J. Phys. Chem. C 121, 22826-22835 (2017)]
+   The definition of normals are the same as that in
+   [Kolmogorov & Crespi, Phys. Rev. B 71, 235415 (2005)]
+------------------------------------------------------------------------- */
+
+#include <mpi.h>
+#include <math.h>
+#include <stdio.h>
+#include <stdlib.h>
+#include <string.h>
+#include "pair_ilp_graphene_hbn.h"
+#include "atom.h"
+#include "comm.h"
+#include "force.h"
+#include "neighbor.h"
+#include "neigh_list.h"
+#include "neigh_request.h"
+#include "my_page.h"
+#include "memory.h"
+#include "error.h"
+
+using namespace LAMMPS_NS;
+
+#define MAXLINE 1024
+#define DELTA 4
+#define PGDELTA 1
+
+/* ---------------------------------------------------------------------- */
+
+PairILPGrapheneHBN::PairILPGrapheneHBN(LAMMPS *lmp) : Pair(lmp)
+{
+  writedata = 1;
+  restartinfo = 0;
+
+  // initialize element to parameter maps
+  nelements = 0;
+  elements = NULL;
+  nparams = maxparam = 0;
+  params = NULL;
+  elem2param = NULL;
+  cutILPsq = NULL;
+  map = NULL;
+
+  nmax = 0;
+  maxlocal = 0;
+  ILP_numneigh = NULL;
+  ILP_firstneigh = NULL;
+  ipage = NULL;
+  pgsize = oneatom = 0;
+
+  normal = NULL;
+  dnormal = NULL;
+  dnormdri = NULL;
+
+  // always compute energy offset
+  offset_flag = 1;
+
+  // set comm size needed by this Pair
+  comm_forward = 39;
+  tap_flag = 1;
+}
+
+/* ---------------------------------------------------------------------- */
+
+PairILPGrapheneHBN::~PairILPGrapheneHBN()
+{
+  memory->destroy(ILP_numneigh);
+  memory->sfree(ILP_firstneigh);
+  delete [] ipage;
+  memory->destroy(normal);
+  memory->destroy(dnormal);
+  memory->destroy(dnormdri);
+
+  if (allocated) {
+    memory->destroy(setflag);
+    memory->destroy(cutsq);
+    memory->destroy(cut);
+    memory->destroy(offset);
+  }
+
+  if (elements)
+    for (int i = 0; i < nelements; i++) delete [] elements[i];
+  delete [] elements;
+  memory->destroy(params);
+  memory->destroy(elem2param);
+  memory->destroy(cutILPsq);
+  if (allocated) delete [] map;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void PairILPGrapheneHBN::compute(int eflag, int vflag)
+{
+  int i,j,ii,jj,inum,jnum,itype,jtype,k,l,kk,ll;
+  tagint itag,jtag;
+  double prodnorm1,prodnorm2,fkcx,fkcy,fkcz;
+  double xtmp,ytmp,ztmp,delx,dely,delz,evdwl,fpair,fpair1,fpair2;
+  double rsq,r,Rcut,rhosq1,rhosq2,exp0,exp1,exp2,r2inv,r6inv,r8inv,Tap,dTap,Vkc;
+  double frho1,frho2,TSvdw,TSvdw2inv,Erep,fsum,rdsq1,rdsq2;
+  int *ilist,*jlist,*numneigh,**firstneigh;
+  int *ILP_neighs_i,*ILP_neighs_j;
+
+  evdwl = 0.0;
+  if (eflag || vflag) ev_setup(eflag,vflag);
+  else evflag = vflag_fdotr = 0;
+
+  double **x = atom->x;
+  double **f = atom->f;
+  int *type = atom->type;
+  tagint *tag = atom->tag;
+  int nlocal = atom->nlocal;
+  int newton_pair = force->newton_pair;
+  double dprodnorm1[3] = {0.0, 0.0, 0.0};
+  double dprodnorm2[3] = {0.0, 0.0, 0.0};
+  double fp1[3] = {0.0, 0.0, 0.0};
+  double fp2[3] = {0.0, 0.0, 0.0};
+  double fprod1[3] = {0.0, 0.0, 0.0};
+  double fprod2[3] = {0.0, 0.0, 0.0};
+
+  inum = list->inum;
+  ilist = list->ilist;
+  numneigh = list->numneigh;
+  firstneigh = list->firstneigh;
+  // Build full neighbor list
+  ILP_neigh();
+  // Calculate the normals
+  calc_normal();
+
+  // communicate the normal vector and its derivatives
+  comm->forward_comm_pair(this);
+
+  // loop over neighbors of my atoms
+  for (ii = 0; ii < inum; ii++) {
+    i = ilist[ii];
+    itag = tag[i];
+    xtmp = x[i][0];
+    ytmp = x[i][1];
+    ztmp = x[i][2];
+    itype = type[i];
+    jlist = firstneigh[i];
+    jnum = numneigh[i];
+
+    for (jj = 0; jj < jnum; jj++) {
+      j = jlist[jj];
+      j &= NEIGHMASK;
+      jtype = type[j];
+      jtag = tag[j];
+
+      // two-body interactions from full neighbor list, skip half of them
+      if (itag > jtag) {
+        if ((itag+jtag) % 2 == 0) continue;
+      } else if (itag < jtag) {
+        if ((itag+jtag) % 2 == 1) continue;
+      } else {
+        if (x[j][2] < ztmp) continue;
+        if (x[j][2] == ztmp && x[j][1] < ytmp) continue;
+        if (x[j][2] == ztmp && x[j][1] == ytmp && x[j][0] < xtmp) continue;
+      }
+
+      delx = xtmp - x[j][0];
+      dely = ytmp - x[j][1];
+      delz = ztmp - x[j][2];
+      rsq = delx*delx + dely*dely + delz*delz;
+
+      // only include the interation between different layers
+      if (rsq < cutsq[itype][jtype] && atom->molecule[i] != atom->molecule[j]) {
+
+        int iparam_ij = elem2param[map[itype]][map[jtype]];
+        Param& p = params[iparam_ij];
+
+        r = sqrt(rsq);
+        r2inv = 1.0/rsq;
+        r6inv = r2inv*r2inv*r2inv;
+        r8inv = r6inv*r2inv;
+        // turn on/off taper function
+        if (tap_flag) {
+          Rcut = sqrt(cutsq[itype][jtype]);
+          Tap = calc_Tap(r,Rcut);
+          dTap = calc_dTap(r,Rcut);
+        } else {Tap = 1.0; dTap = 0.0;}
+
+        // Calculate the transverse distance
+        // note that rho_ij does not equal to rho_ji except when normals are all along z
+        prodnorm1 = normal[i][0]*delx + normal[i][1]*dely + normal[i][2]*delz;
+        prodnorm2 = normal[j][0]*delx + normal[j][1]*dely + normal[j][2]*delz;
+        rhosq1 = rsq - prodnorm1*prodnorm1;  // rho_ij
+        rhosq2 = rsq - prodnorm2*prodnorm2;  // rho_ji
+        rdsq1 = rhosq1*p.delta2inv; // (rho_ij/delta)^2
+        rdsq2 = rhosq2*p.delta2inv; // (rho_ji/delta)^2
+
+        // store exponents
+        exp0 = exp(-p.lambda*(r-p.z0));
+        exp1 = exp(-rdsq1);
+        exp2 = exp(-rdsq2);
+
+        TSvdw = 1.0 + exp(-p.d*(r/p.seff - 1.0));
+        TSvdw2inv = 1.0/pow(TSvdw,2.0);
+        frho1 = exp1*p.C;
+        frho2 = exp2*p.C;
+        Erep = p.epsilon + frho1 + frho2;
+        Vkc = -p.C6*r6inv/TSvdw + exp0*Erep;
+
+        // derivatives
+        fpair = -6.0*p.C6*r8inv/TSvdw + p.d/p.seff*p.C6*(TSvdw-1.0)*TSvdw2inv*r8inv*r + p.lambda*exp0/r*Erep;
+        fpair1 = 2.0*exp0*frho1*p.delta2inv;
+        fpair2 = 2.0*exp0*frho2*p.delta2inv;
+        fsum = fpair + fpair1 + fpair2;
+        // derivatives of the product of rij and ni, the result is a vector
+        dprodnorm1[0] = dnormdri[0][0][i]*delx + dnormdri[1][0][i]*dely + dnormdri[2][0][i]*delz;
+        dprodnorm1[1] = dnormdri[0][1][i]*delx + dnormdri[1][1][i]*dely + dnormdri[2][1][i]*delz;
+        dprodnorm1[2] = dnormdri[0][2][i]*delx + dnormdri[1][2][i]*dely + dnormdri[2][2][i]*delz;
+        // derivatives of the product of rji and nj, the result is a vector
+        dprodnorm2[0] = dnormdri[0][0][j]*delx + dnormdri[1][0][j]*dely + dnormdri[2][0][j]*delz;
+        dprodnorm2[1] = dnormdri[0][1][j]*delx + dnormdri[1][1][j]*dely + dnormdri[2][1][j]*delz;
+        dprodnorm2[2] = dnormdri[0][2][j]*delx + dnormdri[1][2][j]*dely + dnormdri[2][2][j]*delz;
+        fp1[0] = prodnorm1*normal[i][0]*fpair1;
+        fp1[1] = prodnorm1*normal[i][1]*fpair1;
+        fp1[2] = prodnorm1*normal[i][2]*fpair1;
+        fp2[0] = prodnorm2*normal[j][0]*fpair2;
+        fp2[1] = prodnorm2*normal[j][1]*fpair2;
+        fp2[2] = prodnorm2*normal[j][2]*fpair2;
+        fprod1[0] = prodnorm1*dprodnorm1[0]*fpair1;
+        fprod1[1] = prodnorm1*dprodnorm1[1]*fpair1;
+        fprod1[2] = prodnorm1*dprodnorm1[2]*fpair1;
+        fprod2[0] = prodnorm2*dprodnorm2[0]*fpair2;
+        fprod2[1] = prodnorm2*dprodnorm2[1]*fpair2;
+        fprod2[2] = prodnorm2*dprodnorm2[2]*fpair2;
+        fkcx = (delx*fsum - fp1[0] - fp2[0])*Tap - Vkc*dTap*delx/r;
+        fkcy = (dely*fsum - fp1[1] - fp2[1])*Tap - Vkc*dTap*dely/r;
+        fkcz = (delz*fsum - fp1[2] - fp2[2])*Tap - Vkc*dTap*delz/r;
+
+        f[i][0] += fkcx - fprod1[0]*Tap;
+        f[i][1] += fkcy - fprod1[1]*Tap;
+        f[i][2] += fkcz - fprod1[2]*Tap;
+        if (newton_pair || j < nlocal) {
+          f[j][0] -= fkcx + fprod2[0]*Tap;
+          f[j][1] -= fkcy + fprod2[1]*Tap;
+          f[j][2] -= fkcz + fprod2[2]*Tap;
+        }
+
+        // calculate the forces acted on the neighbors of atom i from atom j
+        ILP_neighs_i = ILP_firstneigh[i];
+        for (kk = 0; kk < ILP_numneigh[i]; kk++) {
+          k = ILP_neighs_i[kk];
+          if (k == i) continue;
+          // derivatives of the product of rij and ni respect to rk, k=0,1,2, where atom k is the neighbors of atom i
+          dprodnorm1[0] = dnormal[0][0][kk][i]*delx + dnormal[1][0][kk][i]*dely + dnormal[2][0][kk][i]*delz;
+          dprodnorm1[1] = dnormal[0][1][kk][i]*delx + dnormal[1][1][kk][i]*dely + dnormal[2][1][kk][i]*delz;
+          dprodnorm1[2] = dnormal[0][2][kk][i]*delx + dnormal[1][2][kk][i]*dely + dnormal[2][2][kk][i]*delz;
+          f[k][0] += (-prodnorm1*dprodnorm1[0]*fpair1)*Tap;
+          f[k][1] += (-prodnorm1*dprodnorm1[1]*fpair1)*Tap;
+          f[k][2] += (-prodnorm1*dprodnorm1[2]*fpair1)*Tap;
+        }
+
+        // calculate the forces acted on the neighbors of atom j from atom i
+        ILP_neighs_j = ILP_firstneigh[j];
+        for (ll = 0; ll < ILP_numneigh[j]; ll++) {
+          l = ILP_neighs_j[ll];
+          if (l == j) continue;
+          if (newton_pair || l < nlocal) {
+            // derivatives of the product of rji and nj respect to rl, l=0,1,2, where atom l is the neighbors of atom j
+            dprodnorm2[0] = dnormal[0][0][ll][j]*delx + dnormal[1][0][ll][j]*dely + dnormal[2][0][ll][j]*delz;
+            dprodnorm2[1] = dnormal[0][1][ll][j]*delx + dnormal[1][1][ll][j]*dely + dnormal[2][1][ll][j]*delz;
+            dprodnorm2[2] = dnormal[0][2][ll][j]*delx + dnormal[1][2][ll][j]*dely + dnormal[2][2][ll][j]*delz;
+            f[l][0] += (-prodnorm2*dprodnorm2[0]*fpair2)*Tap;
+            f[l][1] += (-prodnorm2*dprodnorm2[1]*fpair2)*Tap;
+            f[l][2] += (-prodnorm2*dprodnorm2[2]*fpair2)*Tap;
+          }
+        }
+
+        if (eflag) {
+          if (tap_flag) evdwl = Tap*Vkc;
+          else  evdwl = Vkc - offset[itype][jtype];
+        }
+
+        if (evflag){
+          ev_tally_xyz(i,j,nlocal,newton_pair,evdwl,0,
+                       fkcx,fkcy,fkcz,delx,dely,delz);
+        }
+      }
+    }
+  }
+  if (vflag_fdotr) virial_fdotr_compute();
+}
+
+/* ----------------------------------------------------------------------
+   Calculate the normals for each atom
+------------------------------------------------------------------------- */
+void PairILPGrapheneHBN::calc_normal()
+{
+  int i,j,ii,jj,inum,jnum;
+  int cont,id,ip,m;
+  double nn,xtp,ytp,ztp,delx,dely,delz,nn2;
+  int *ilist,*jlist;
+  double pv12[3],pv31[3],pv23[3],n1[3],dni[3],dnn[3][3],vet[3][3],dpvdri[3][3];
+  double dn1[3][3][3],dpv12[3][3][3],dpv23[3][3][3],dpv31[3][3][3];
+
+  double **x = atom->x;
+
+  // grow normal array if necessary
+
+  if (atom->nmax > nmax) {
+    memory->destroy(normal);
+    memory->destroy(dnormal);
+    memory->destroy(dnormdri);
+    nmax = atom->nmax;
+    memory->create(normal,nmax,3,"ILP:normal");
+    memory->create(dnormdri,3,3,nmax,"ILP:dnormdri");
+    memory->create(dnormal,3,3,3,nmax,"ILP:dnormal");
+  }
+
+  inum = list->inum;
+  ilist = list->ilist;
+  //Calculate normals
+  for (ii = 0; ii < inum; ii++) {
+    i = ilist[ii];
+    xtp = x[i][0];
+    ytp = x[i][1];
+    ztp = x[i][2];
+
+    //   Initialize the arrays
+    for (id = 0; id < 3; id++){
+      pv12[id] = 0.0;
+      pv31[id] = 0.0;
+      pv23[id] = 0.0;
+      n1[id] = 0.0;
+      dni[id] = 0.0;
+      normal[i][id] = 0.0;
+      for (ip = 0; ip < 3; ip++){
+        vet[ip][id] = 0.0;
+        dnn[ip][id] = 0.0;
+        dpvdri[ip][id] = 0.0;
+        dnormdri[ip][id][i] = 0.0;
+        for (m = 0; m < 3; m++){
+          dpv12[ip][id][m] = 0.0;
+          dpv31[ip][id][m] = 0.0;
+          dpv23[ip][id][m] = 0.0;
+          dn1[ip][id][m] = 0.0;
+          dnormal[ip][id][m][i] = 0.0;
+        }
+      }
+    }
+
+    cont = 0;
+    jlist = ILP_firstneigh[i];
+    jnum = ILP_numneigh[i];
+    for (jj = 0; jj < jnum; jj++) {
+      j = jlist[jj];
+      j &= NEIGHMASK;
+
+      delx = x[j][0] - xtp;
+      dely = x[j][1] - ytp;
+      delz = x[j][2] - ztp;
+      vet[cont][0] = delx;
+      vet[cont][1] = dely;
+      vet[cont][2] = delz;
+      cont++;
+    }
+
+    if (cont <= 1) {
+      normal[i][0] = 0.0;
+      normal[i][1] = 0.0;
+      normal[i][2] = 1.0;
+      for (id = 0; id < 3; id++){
+        for (ip = 0; ip < 3; ip++){
+          dnormdri[id][ip][i] = 0.0;
+          for (m = 0; m < 3; m++){
+            dnormal[id][ip][m][i] = 0.0;
+          }
+        }
+      }
+    }
+    else if (cont == 2) {
+      pv12[0] = vet[0][1]*vet[1][2] - vet[1][1]*vet[0][2];
+      pv12[1] = vet[0][2]*vet[1][0] - vet[1][2]*vet[0][0];
+      pv12[2] = vet[0][0]*vet[1][1] - vet[1][0]*vet[0][1];
+      // derivatives of pv12[0] to ri
+      dpvdri[0][0] = 0.0;
+      dpvdri[0][1] = vet[0][2]-vet[1][2];
+      dpvdri[0][2] = vet[1][1]-vet[0][1];
+      // derivatives of pv12[1] to ri
+      dpvdri[1][0] = vet[1][2]-vet[0][2];
+      dpvdri[1][1] = 0.0;
+      dpvdri[1][2] = vet[0][0]-vet[1][0];
+      // derivatives of pv12[2] to ri
+      dpvdri[2][0] = vet[0][1]-vet[1][1];
+      dpvdri[2][1] = vet[1][0]-vet[0][0];
+      dpvdri[2][2] = 0.0;
+
+      dpv12[0][0][0] =  0.0;
+      dpv12[0][1][0] =  vet[1][2];
+      dpv12[0][2][0] = -vet[1][1];
+      dpv12[1][0][0] = -vet[1][2];
+      dpv12[1][1][0] =  0.0;
+      dpv12[1][2][0] =  vet[1][0];
+      dpv12[2][0][0] =  vet[1][1];
+      dpv12[2][1][0] = -vet[1][0];
+      dpv12[2][2][0] =  0.0;
+
+      // derivatives respect to the second neighbor, atom l
+      dpv12[0][0][1] =  0.0;
+      dpv12[0][1][1] = -vet[0][2];
+      dpv12[0][2][1] =  vet[0][1];
+      dpv12[1][0][1] =  vet[0][2];
+      dpv12[1][1][1] =  0.0;
+      dpv12[1][2][1] = -vet[0][0];
+      dpv12[2][0][1] = -vet[0][1];
+      dpv12[2][1][1] =  vet[0][0];
+      dpv12[2][2][1] =  0.0;
+
+      // derivatives respect to the third neighbor, atom n
+      // derivatives of pv12 to rn is zero
+      for (id = 0; id < 3; id++){
+        for (ip = 0; ip < 3; ip++){
+          dpv12[id][ip][2] = 0.0;
+        }
+      }
+
+      n1[0] = pv12[0];
+      n1[1] = pv12[1];
+      n1[2] = pv12[2];
+      // the magnitude of the normal vector
+      nn2 = n1[0]*n1[0] + n1[1]*n1[1] + n1[2]*n1[2];
+      nn = sqrt(nn2);
+      if (nn == 0) error->all(FLERR,"The magnitude of the normal vector is zero");
+      // the unit normal vector
+      normal[i][0] = n1[0]/nn;
+      normal[i][1] = n1[1]/nn;
+      normal[i][2] = n1[2]/nn;
+      // derivatives of nn, dnn:3x1 vector
+      dni[0] = (n1[0]*dpvdri[0][0] + n1[1]*dpvdri[1][0] + n1[2]*dpvdri[2][0])/nn;
+      dni[1] = (n1[0]*dpvdri[0][1] + n1[1]*dpvdri[1][1] + n1[2]*dpvdri[2][1])/nn;
+      dni[2] = (n1[0]*dpvdri[0][2] + n1[1]*dpvdri[1][2] + n1[2]*dpvdri[2][2])/nn;
+      // derivatives of unit vector ni respect to ri, the result is 3x3 matrix
+      for (id = 0; id < 3; id++){
+        for (ip = 0; ip < 3; ip++){
+          dnormdri[id][ip][i] = dpvdri[id][ip]/nn - n1[id]*dni[ip]/nn2;
+        }
+      }
+      // derivatives of non-normalized normal vector, dn1:3x3x3 array
+      for (id = 0; id < 3; id++){
+        for (ip = 0; ip < 3; ip++){
+          for (m = 0; m < 3; m++){
+            dn1[id][ip][m] = dpv12[id][ip][m];
+          }
+        }
+      }
+      // derivatives of nn, dnn:3x3 vector
+      // dnn[id][m]: the derivative of nn respect to r[id][m], id,m=0,1,2
+      // r[id][m]: the id's component of atom m
+      for (m = 0; m < 3; m++){
+        for (id = 0; id < 3; id++){
+          dnn[id][m] = (n1[0]*dn1[0][id][m] + n1[1]*dn1[1][id][m] + n1[2]*dn1[2][id][m])/nn;
+        }
+      }
+      // dnormal[id][ip][m][i]: the derivative of normal[id] respect to r[ip][m], id,ip=0,1,2
+      // for atom m, which is a neighbor atom of atom i, m=0,jnum-1
+      for (m = 0; m < 3; m++){
+        for (id = 0; id < 3; id++){
+          for (ip = 0; ip < 3; ip++){
+            dnormal[id][ip][m][i] = dn1[id][ip][m]/nn - n1[id]*dnn[ip][m]/nn2;
+          }
+        }
+      }
+    }
+//##############################################################################################
+
+    else if(cont == 3) {
+      pv12[0] = vet[0][1]*vet[1][2] - vet[1][1]*vet[0][2];
+      pv12[1] = vet[0][2]*vet[1][0] - vet[1][2]*vet[0][0];
+      pv12[2] = vet[0][0]*vet[1][1] - vet[1][0]*vet[0][1];
+      // derivatives respect to the first neighbor, atom k
+      dpv12[0][0][0] =  0.0;
+      dpv12[0][1][0] =  vet[1][2];
+      dpv12[0][2][0] = -vet[1][1];
+      dpv12[1][0][0] = -vet[1][2];
+      dpv12[1][1][0] =  0.0;
+      dpv12[1][2][0] =  vet[1][0];
+      dpv12[2][0][0] =  vet[1][1];
+      dpv12[2][1][0] = -vet[1][0];
+      dpv12[2][2][0] =  0.0;
+      // derivatives respect to the second neighbor, atom l
+      dpv12[0][0][1] =  0.0;
+      dpv12[0][1][1] = -vet[0][2];
+      dpv12[0][2][1] =  vet[0][1];
+      dpv12[1][0][1] =  vet[0][2];
+      dpv12[1][1][1] =  0.0;
+      dpv12[1][2][1] = -vet[0][0];
+      dpv12[2][0][1] = -vet[0][1];
+      dpv12[2][1][1] =  vet[0][0];
+      dpv12[2][2][1] =  0.0;
+
+      // derivatives respect to the third neighbor, atom n
+      for (id = 0; id < 3; id++){
+        for (ip = 0; ip < 3; ip++){
+          dpv12[id][ip][2] = 0.0;
+        }
+      }
+
+      pv31[0] = vet[2][1]*vet[0][2] - vet[0][1]*vet[2][2];
+      pv31[1] = vet[2][2]*vet[0][0] - vet[0][2]*vet[2][0];
+      pv31[2] = vet[2][0]*vet[0][1] - vet[0][0]*vet[2][1];
+      // derivatives respect to the first neighbor, atom k
+      dpv31[0][0][0] =  0.0;
+      dpv31[0][1][0] = -vet[2][2];
+      dpv31[0][2][0] =  vet[2][1];
+      dpv31[1][0][0] =  vet[2][2];
+      dpv31[1][1][0] =  0.0;
+      dpv31[1][2][0] = -vet[2][0];
+      dpv31[2][0][0] = -vet[2][1];
+      dpv31[2][1][0] =  vet[2][0];
+      dpv31[2][2][0] =  0.0;
+      // derivatives respect to the third neighbor, atom n
+      dpv31[0][0][2] =  0.0;
+      dpv31[0][1][2] =  vet[0][2];
+      dpv31[0][2][2] = -vet[0][1];
+      dpv31[1][0][2] = -vet[0][2];
+      dpv31[1][1][2] =  0.0;
+      dpv31[1][2][2] =  vet[0][0];
+      dpv31[2][0][2] =  vet[0][1];
+      dpv31[2][1][2] = -vet[0][0];
+      dpv31[2][2][2] =  0.0;
+      // derivatives respect to the second neighbor, atom l
+      for (id = 0; id < 3; id++){
+        for (ip = 0; ip < 3; ip++){
+          dpv31[id][ip][1] = 0.0;
+        }
+      }
+
+      pv23[0] = vet[1][1]*vet[2][2] - vet[2][1]*vet[1][2];
+      pv23[1] = vet[1][2]*vet[2][0] - vet[2][2]*vet[1][0];
+      pv23[2] = vet[1][0]*vet[2][1] - vet[2][0]*vet[1][1];
+      // derivatives respect to the second neighbor, atom k
+      for (id = 0; id < 3; id++){
+        for (ip = 0; ip < 3; ip++){
+          dpv23[id][ip][0] = 0.0;
+        }
+      }
+      // derivatives respect to the second neighbor, atom l
+      dpv23[0][0][1] =  0.0;
+      dpv23[0][1][1] =  vet[2][2];
+      dpv23[0][2][1] = -vet[2][1];
+      dpv23[1][0][1] = -vet[2][2];
+      dpv23[1][1][1] =  0.0;
+      dpv23[1][2][1] =  vet[2][0];
+      dpv23[2][0][1] =  vet[2][1];
+      dpv23[2][1][1] = -vet[2][0];
+      dpv23[2][2][1] =  0.0;
+      // derivatives respect to the third neighbor, atom n
+      dpv23[0][0][2] =  0.0;
+      dpv23[0][1][2] = -vet[1][2];
+      dpv23[0][2][2] =  vet[1][1];
+      dpv23[1][0][2] =  vet[1][2];
+      dpv23[1][1][2] =  0.0;
+      dpv23[1][2][2] = -vet[1][0];
+      dpv23[2][0][2] = -vet[1][1];
+      dpv23[2][1][2] =  vet[1][0];
+      dpv23[2][2][2] =  0.0;
+
+//############################################################################################
+      // average the normal vectors by using the 3 neighboring planes
+      n1[0] = (pv12[0] + pv31[0] + pv23[0])/cont;
+      n1[1] = (pv12[1] + pv31[1] + pv23[1])/cont;
+      n1[2] = (pv12[2] + pv31[2] + pv23[2])/cont;
+      // the magnitude of the normal vector
+      nn2 = n1[0]*n1[0] + n1[1]*n1[1] + n1[2]*n1[2];
+      nn = sqrt(nn2);
+      if (nn == 0) error->all(FLERR,"The magnitude of the normal vector is zero");
+      // the unit normal vector
+      normal[i][0] = n1[0]/nn;
+      normal[i][1] = n1[1]/nn;
+      normal[i][2] = n1[2]/nn;
+
+      // for the central atoms, dnormdri is always zero
+      for (id = 0; id < 3; id++){
+        for (ip = 0; ip < 3; ip++){
+          dnormdri[id][ip][i] = 0.0;
+        }
+      }
+
+      // derivatives of non-normalized normal vector, dn1:3x3x3 array
+      for (id = 0; id < 3; id++){
+        for (ip = 0; ip < 3; ip++){
+          for (m = 0; m < 3; m++){
+            dn1[id][ip][m] = (dpv12[id][ip][m] + dpv23[id][ip][m] + dpv31[id][ip][m])/cont;
+          }
+        }
+      }
+      // derivatives of nn, dnn:3x3 vector
+      // dnn[id][m]: the derivative of nn respect to r[id][m], id,m=0,1,2
+      // r[id][m]: the id's component of atom m
+      for (m = 0; m < 3; m++){
+        for (id = 0; id < 3; id++){
+          dnn[id][m] = (n1[0]*dn1[0][id][m] + n1[1]*dn1[1][id][m] + n1[2]*dn1[2][id][m])/nn;
+        }
+      }
+      // dnormal[id][ip][m][i]: the derivative of normal[id] respect to r[ip][m], id,ip=0,1,2
+      // for atom m, which is a neighbor atom of atom i, m=0,jnum-1
+      for (m = 0; m < 3; m++){
+        for (id = 0; id < 3; id++){
+          for (ip = 0; ip < 3; ip++){
+            dnormal[id][ip][m][i] = dn1[id][ip][m]/nn - n1[id]*dnn[ip][m]/nn2;
+          }
+        }
+      }
+    }
+    else {
+      error->all(FLERR,"There are too many neighbors for calculating normals");
+    }
+
+//##############################################################################################
+  }
+}
+
+/* ----------------------------------------------------------------------
+   init specific to this pair style
+------------------------------------------------------------------------- */
+
+void PairILPGrapheneHBN::init_style()
+{
+  if (force->newton_pair == 0)
+    error->all(FLERR,"Pair style ILP requires newton pair on");
+
+  // need a full neighbor list, including neighbors of ghosts
+
+  int irequest = neighbor->request(this,instance_me);
+  neighbor->requests[irequest]->half = 0;
+  neighbor->requests[irequest]->full = 1;
+  neighbor->requests[irequest]->ghost = 1;
+
+  // local ILP neighbor list
+  // create pages if first time or if neighbor pgsize/oneatom has changed
+
+  int create = 0;
+  if (ipage == NULL) create = 1;
+  if (pgsize != neighbor->pgsize) create = 1;
+  if (oneatom != neighbor->oneatom) create = 1;
+
+  if (create) {
+    delete [] ipage;
+    pgsize = neighbor->pgsize;
+    oneatom = neighbor->oneatom;
+
+    int nmypage= comm->nthreads;
+    ipage = new MyPage<int>[nmypage];
+    for (int i = 0; i < nmypage; i++)
+      ipage[i].init(oneatom,pgsize,PGDELTA);
+  }
+}
+
+
+/* ----------------------------------------------------------------------
+   create ILP neighbor list from main neighbor list
+   ILP neighbor list stores neighbors of ghost atoms
+   ILP_numneigh for calcualting normals and
+   ILP_pair_numneigh for calculating force
+------------------------------------------------------------------------- */
+
+void PairILPGrapheneHBN::ILP_neigh()
+{
+  int i,j,ii,jj,n,allnum,jnum,itype,jtype;
+  double xtmp,ytmp,ztmp,delx,dely,delz,rsq;
+  int *ilist,*jlist,*numneigh,**firstneigh;
+  int *neighptr;
+
+  double **x = atom->x;
+  int *type = atom->type;
+
+  if (atom->nmax > maxlocal) {
+    maxlocal = atom->nmax;
+    memory->destroy(ILP_numneigh);
+    memory->sfree(ILP_firstneigh);
+    memory->create(ILP_numneigh,maxlocal,"ILP:numneigh");
+    ILP_firstneigh = (int **) memory->smalloc(maxlocal*sizeof(int *),"ILP:firstneigh");
+  }
+
+  allnum = list->inum + list->gnum;
+  ilist = list->ilist;
+  numneigh = list->numneigh;
+  firstneigh = list->firstneigh;
+
+  // store all ILP neighs of owned and ghost atoms
+  // scan full neighbor list of I
+
+  ipage->reset();
+
+  for (ii = 0; ii < allnum; ii++) {
+    i = ilist[ii];
+
+    n = 0;
+    neighptr = ipage->vget();
+
+    xtmp = x[i][0];
+    ytmp = x[i][1];
+    ztmp = x[i][2];
+    itype = map[type[i]];
+    jlist = firstneigh[i];
+    jnum = numneigh[i];
+
+    for (jj = 0; jj < jnum; jj++) {
+      j = jlist[jj];
+      j &= NEIGHMASK;
+      jtype = map[type[j]];
+      delx = xtmp - x[j][0];
+      dely = ytmp - x[j][1];
+      delz = ztmp - x[j][2];
+      rsq = delx*delx + dely*dely + delz*delz;
+
+      if (rsq != 0 && rsq < cutILPsq[itype][jtype] && atom->molecule[i] == atom->molecule[j]) {
+        neighptr[n++] = j;
+      }
+    }
+
+    ILP_firstneigh[i] = neighptr;
+    ILP_numneigh[i] = n;
+    ipage->vgot(n);
+    if (ipage->status())
+      error->one(FLERR,"Neighbor list overflow, boost neigh_modify one");
+  }
+}
+
+
+/* ----------------------------------------------------------------------
+   allocate all arrays
+------------------------------------------------------------------------- */
+
+void PairILPGrapheneHBN::allocate()
+{
+  allocated = 1;
+  int n = atom->ntypes;
+
+  memory->create(setflag,n+1,n+1,"pair:setflag");
+  for (int i = 1; i <= n; i++)
+    for (int j = i; j <= n; j++)
+      setflag[i][j] = 0;
+
+  memory->create(cutsq,n+1,n+1,"pair:cutsq");
+  memory->create(cut,n+1,n+1,"pair:cut");
+  memory->create(offset,n+1,n+1,"pair:offset");
+  map = new int[atom->ntypes+1];
+}
+
+/* ----------------------------------------------------------------------
+   global settings
+------------------------------------------------------------------------- */
+
+void PairILPGrapheneHBN::settings(int narg, char **arg)
+{
+  if (narg < 1 || narg > 2) error->all(FLERR,"Illegal pair_style command");
+  if (strcmp(force->pair_style,"hybrid/overlay")!=0)
+    error->all(FLERR,"ERROR: requires hybrid/overlay pair_style");
+
+  cut_global = force->numeric(FLERR,arg[0]);
+  if (narg == 2) tap_flag = force->numeric(FLERR,arg[1]);
+
+  // reset cutoffs that have been explicitly set
+
+  if (allocated) {
+    int i,j;
+    for (i = 1; i <= atom->ntypes; i++)
+      for (j = i; j <= atom->ntypes; j++)
+        if (setflag[i][j]) cut[i][j] = cut_global;
+  }
+}
+
+/* ----------------------------------------------------------------------
+   set coeffs for one or more type pairs
+------------------------------------------------------------------------- */
+
+void PairILPGrapheneHBN::coeff(int narg, char **arg)
+{
+  int i,j,n;
+
+  if (narg != 3 + atom->ntypes)
+    error->all(FLERR,"Incorrect args for pair coefficients");
+  if (!allocated) allocate();
+
+  int ilo,ihi,jlo,jhi;
+  force->bounds(FLERR,arg[0],atom->ntypes,ilo,ihi);
+  force->bounds(FLERR,arg[1],atom->ntypes,jlo,jhi);
+
+  // read args that map atom types to elements in potential file
+  // map[i] = which element the Ith atom type is, -1 if NULL
+  // nelements = # of unique elements
+  // elements = list of element names
+
+  if (elements) {
+    for (i = 0; i < nelements; i++) delete [] elements[i];
+    delete [] elements;
+  }
+  elements = new char*[atom->ntypes];
+  for (i = 0; i < atom->ntypes; i++) elements[i] = NULL;
+
+  nelements = 0;
+  for (i = 3; i < narg; i++) {
+    if (strcmp(arg[i],"NULL") == 0) {
+      map[i-2] = -1;
+      continue;
+    }
+    for (j = 0; j < nelements; j++)
+      if (strcmp(arg[i],elements[j]) == 0) break;
+    map[i-2] = j;
+    if (j == nelements) {
+      n = strlen(arg[i]) + 1;
+      elements[j] = new char[n];
+      strcpy(elements[j],arg[i]);
+      nelements++;
+    }
+  }
+
+
+  read_file(arg[2]);
+
+  double cut_one = cut_global;
+
+  int count = 0;
+  for (int i = ilo; i <= ihi; i++) {
+    for (int j = MAX(jlo,i); j <= jhi; j++) {
+      cut[i][j] = cut_one;
+      setflag[i][j] = 1;
+      count++;
+    }
+  }
+
+  if (count == 0) error->all(FLERR,"Incorrect args for pair coefficients");
+}
+
+
+/* ----------------------------------------------------------------------
+   init for one type pair i,j and corresponding j,i
+------------------------------------------------------------------------- */
+
+double PairILPGrapheneHBN::init_one(int i, int j)
+{
+  if (setflag[i][j] == 0) error->all(FLERR,"All pair coeffs are not set");
+
+  if (offset_flag  && (cut[i][j] > 0.0)) {
+    int iparam_ij = elem2param[map[i]][map[j]];
+    Param& p = params[iparam_ij];
+    offset[i][j] = -p.C6*pow(1.0/cut[i][j],6)/(1.0 + exp(-p.d*(cut[i][j]/p.seff - 1.0)));
+  } else offset[i][j] = 0.0;
+  offset[j][i] = offset[i][j];
+
+  return cut[i][j];
+}
+
+/* ----------------------------------------------------------------------
+   read Interlayer potential file
+------------------------------------------------------------------------- */
+
+void PairILPGrapheneHBN::read_file(char *filename)
+{
+  int params_per_line = 13;
+  char **words = new char*[params_per_line+1];
+  memory->sfree(params);
+  params = NULL;
+  nparams = maxparam = 0;
+
+  // open file on proc 0
+
+  FILE *fp;
+  if (comm->me == 0) {
+    fp = force->open_potential(filename);
+    if (fp == NULL) {
+      char str[128];
+      sprintf(str,"Cannot open ILP potential file %s",filename);
+      error->one(FLERR,str);
+    }
+  }
+
+  // read each line out of file, skipping blank lines or leading '#'
+  // store line of params if all 3 element tags are in element list
+
+  int i,j,n,m,nwords,ielement,jelement;
+  char line[MAXLINE],*ptr;
+  int eof = 0;
+
+  while (1) {
+    if (comm->me == 0) {
+      ptr = fgets(line,MAXLINE,fp);
+      if (ptr == NULL) {
+        eof = 1;
+        fclose(fp);
+      } else n = strlen(line) + 1;
+    }
+    MPI_Bcast(&eof,1,MPI_INT,0,world);
+    if (eof) break;
+    MPI_Bcast(&n,1,MPI_INT,0,world);
+    MPI_Bcast(line,n,MPI_CHAR,0,world);
+
+    // strip comment, skip line if blank
+
+    if ((ptr = strchr(line,'#'))) *ptr = '\0';
+    nwords = atom->count_words(line);
+    if (nwords == 0) continue;
+
+    // concatenate additional lines until have params_per_line words
+
+    while (nwords < params_per_line) {
+      n = strlen(line);
+      if (comm->me == 0) {
+        ptr = fgets(&line[n],MAXLINE-n,fp);
+        if (ptr == NULL) {
+          eof = 1;
+          fclose(fp);
+        } else n = strlen(line) + 1;
+      }
+      MPI_Bcast(&eof,1,MPI_INT,0,world);
+      if (eof) break;
+      MPI_Bcast(&n,1,MPI_INT,0,world);
+      MPI_Bcast(line,n,MPI_CHAR,0,world);
+      if ((ptr = strchr(line,'#'))) *ptr = '\0';
+      nwords = atom->count_words(line);
+    }
+
+    if (nwords != params_per_line)
+      error->all(FLERR,"Insufficient format in ILP potential file");
+
+    // words = ptrs to all words in line
+
+    nwords = 0;
+    words[nwords++] = strtok(line," \t\n\r\f");
+    while ((words[nwords++] = strtok(NULL," \t\n\r\f"))) continue;
+
+    // ielement,jelement = 1st args
+    // if these 2 args are in element list, then parse this line
+    // else skip to next line (continue)
+
+    for (ielement = 0; ielement < nelements; ielement++)
+      if (strcmp(words[0],elements[ielement]) == 0) break;
+    if (ielement == nelements) continue;
+    for (jelement = 0; jelement < nelements; jelement++)
+      if (strcmp(words[1],elements[jelement]) == 0) break;
+    if (jelement == nelements) continue;
+
+    // load up parameter settings and error check their values
+
+    if (nparams == maxparam) {
+      maxparam += DELTA;
+      params = (Param *) memory->srealloc(params,maxparam*sizeof(Param),
+                                          "pair:params");
+    }
+
+    params[nparams].ielement = ielement;
+    params[nparams].jelement = jelement;
+    params[nparams].z0       = atof(words[2]);
+    params[nparams].alpha    = atof(words[3]);
+    params[nparams].delta    = atof(words[4]);
+    params[nparams].epsilon  = atof(words[5]);
+    params[nparams].C        = atof(words[6]);
+    params[nparams].d        = atof(words[7]);
+    params[nparams].sR       = atof(words[8]);
+    params[nparams].reff     = atof(words[9]);
+    params[nparams].C6       = atof(words[10]);
+    // S provides a convenient scaling of all energies
+    params[nparams].S        = atof(words[11]);
+    params[nparams].rcut     = atof(words[12]);
+
+    // energies in meV further scaled by S
+    // S = 43.3634 meV = 1 kcal/mol
+    double meV = 1e-3*params[nparams].S;
+    params[nparams].C *= meV;
+    params[nparams].C6 *= meV;
+    params[nparams].epsilon *= meV;
+
+    // precompute some quantities
+    params[nparams].delta2inv = pow(params[nparams].delta,-2.0);
+    params[nparams].lambda = params[nparams].alpha/params[nparams].z0;
+    params[nparams].seff = params[nparams].sR * params[nparams].reff;
+
+    nparams++;
+  }
+  memory->destroy(elem2param);
+  memory->destroy(cutILPsq);
+  memory->create(elem2param,nelements,nelements,"pair:elem2param");
+  memory->create(cutILPsq,nelements,nelements,"pair:cutILPsq");
+  for (i = 0; i < nelements; i++) {
+    for (j = 0; j < nelements; j++) {
+      n = -1;
+      for (m = 0; m < nparams; m++) {
+        if (i == params[m].ielement && j == params[m].jelement) {
+          if (n >= 0) error->all(FLERR,"Potential file has duplicate entry");
+          n = m;
+        }
+      }
+      if (n < 0) error->all(FLERR,"Potential file is missing an entry");
+      elem2param[i][j] = n;
+      cutILPsq[i][j] = params[n].rcut*params[n].rcut;
+    }
+  }
+  delete [] words;
+}
+
+/* ---------------------------------------------------------------------- */
+
+double PairILPGrapheneHBN::single(int i, int j, int itype, int jtype, double rsq,
+                         double factor_coul, double factor_lj,
+                         double &fforce)
+{
+  double r,r2inv,r6inv,r8inv,forcelj,philj,fpair;
+  double Tap,dTap,Vkc,TSvdw,TSvdw2inv;
+
+  int iparam_ij = elem2param[map[itype]][map[jtype]];
+  Param& p = params[iparam_ij];
+
+  r = sqrt(rsq);
+  // turn on/off taper function
+  if (tap_flag) {
+    Tap = calc_Tap(r,sqrt(cutsq[itype][jtype]));
+    dTap = calc_dTap(r,sqrt(cutsq[itype][jtype]));
+  } else {Tap = 1.0; dTap = 0.0;}
+
+  r2inv = 1.0/rsq;
+  r6inv = r2inv*r2inv*r2inv;
+  r8inv = r2inv*r6inv;
+
+  TSvdw = 1.0 + exp(-p.d*(r/p.seff - 1.0));
+  TSvdw2inv = pow(TSvdw,-2.0);
+  Vkc = -p.C6*r6inv/TSvdw;
+  // derivatives
+  fpair = -6.0*p.C6*r8inv/TSvdw + p.d/p.seff*p.C6*(TSvdw - 1.0)*r6inv*TSvdw2inv/r;
+  forcelj = fpair;
+  fforce = factor_lj*(forcelj*Tap - Vkc*dTap/r);
+
+  philj = Vkc*Tap;
+  return factor_lj*philj;
+}
+
+
+/* ---------------------------------------------------------------------- */
+
+int PairILPGrapheneHBN::pack_forward_comm(int n, int *list, double *buf,
+                               int pbc_flag, int *pbc)
+{
+  int i,j,m,id,ip,l;
+
+  m = 0;
+  for (i = 0; i < n; i++) {
+    j = list[i];
+    buf[m++] = normal[j][0];
+    buf[m++] = normal[j][1];
+    buf[m++] = normal[j][2];
+    buf[m++] = dnormdri[0][0][j];
+    buf[m++] = dnormdri[0][1][j];
+    buf[m++] = dnormdri[0][2][j];
+    buf[m++] = dnormdri[1][0][j];
+    buf[m++] = dnormdri[1][1][j];
+    buf[m++] = dnormdri[1][2][j];
+    buf[m++] = dnormdri[2][0][j];
+    buf[m++] = dnormdri[2][1][j];
+    buf[m++] = dnormdri[2][2][j];
+    for (l = 0; l < 3; l++){
+      for (id = 0; id < 3; id++){
+        for (ip = 0; ip < 3; ip++){
+          buf[m++] = dnormal[id][ip][l][j];
+        }
+      }
+    }
+  }
+  return m;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void PairILPGrapheneHBN::unpack_forward_comm(int n, int first, double *buf)
+{
+  int i,m,last,id,ip,l;
+
+  m = 0;
+  last = first + n;
+  for (i = first; i < last; i++) {
+    normal[i][0] = buf[m++];
+    normal[i][1] = buf[m++];
+    normal[i][2] = buf[m++];
+    dnormdri[0][0][i] = buf[m++];
+    dnormdri[0][1][i] = buf[m++];
+    dnormdri[0][2][i] = buf[m++];
+    dnormdri[1][0][i] = buf[m++];
+    dnormdri[1][1][i] = buf[m++];
+    dnormdri[1][2][i] = buf[m++];
+    dnormdri[2][0][i] = buf[m++];
+    dnormdri[2][1][i] = buf[m++];
+    dnormdri[2][2][i] = buf[m++];
+    for (l = 0; l < 3; l++){
+      for (id = 0; id < 3; id++){
+        for (ip = 0; ip < 3; ip++){
+          dnormal[id][ip][l][i] = buf[m++];
+        }
+      }
+    }
+  }
+}
+
+/* ---------------------------------------------------------------------- */
diff --git a/src/USER-MISC/pair_ilp_gr_hBN.h b/src/USER-MISC/pair_ilp_graphene_hbn.h
similarity index 90%
rename from src/USER-MISC/pair_ilp_gr_hBN.h
rename to src/USER-MISC/pair_ilp_graphene_hbn.h
index e25910d929..3ced305429 100644
--- a/src/USER-MISC/pair_ilp_gr_hBN.h
+++ b/src/USER-MISC/pair_ilp_graphene_hbn.h
@@ -1,143 +1,143 @@
-/* ----------------------------------------------------------------------
-   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
-   http://lammps.sandia.gov, Sandia National Laboratories
-   Steve Plimpton, sjplimp@sandia.gov
-
-   Copyright (2003) Sandia Corporation.  Under the terms of Contract
-   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
-   certain rights in this software.  This software is distributed under
-   the GNU General Public License.
-
-   See the README file in the top-level LAMMPS directory.
-------------------------------------------------------------------------- */
-
-#ifdef PAIR_CLASS
-
-PairStyle(ILP/graphene/hBN,PairILP)
-
-#else
-
-#ifndef LMP_PAIR_ILP_H
-#define LMP_PAIR_ILP_H
-
-#include "pair.h"
-#include "my_page.h"
-#include <math.h>
-
-namespace LAMMPS_NS {
-
-class PairILP : public Pair {
- public:
-  PairILP(class LAMMPS *);
-  virtual ~PairILP();
-
-  virtual void compute(int, int);
-  void settings(int, char **);
-  void coeff(int, char **);
-  double init_one(int, int);
-  void init_style();
-  void calc_normal();
-  int pack_forward_comm(int, int *, double *, int, int *);
-  void unpack_forward_comm(int, int, double *);
-  double single(int, int, int, int, double, double, double, double &);
-
- protected:
-  int me;
-  int maxlocal;                    // size of numneigh, firstneigh arrays
-  int pgsize;                      // size of neighbor page
-  int oneatom;                     // max # of neighbors for one atom
-  MyPage<int> *ipage;              // neighbor list pages
-  int *ILP_numneigh;                // # of pair neighbors for each atom
-  int **ILP_firstneigh;             // ptr to 1st neighbor of each atom
-  int tap_flag;			   // flag to turn on/off Tapper function
-
-  struct Param {
-    double z0,alpha,epsilon,C,delta,d,sR,reff,C6,S;
-    double delta2inv,seff,lambda,rcut;
-    int ielement,jelement;
-  };
-  Param *params;       // parameter set for I-J interactions
-  char **elements;     // names of unique elements
-  int **elem2param;    // mapping from element pairs to parameters
-  int *map;            // mapping from atom types to elements
-  int nelements;       // # of unique elements
-  int nparams;         // # of stored parameter sets
-  int maxparam;        // max # of parameter sets
-  int nmax;            // max # of atoms
-
-  double cut_global;
-  double cut_normal;
-  double **cut;
-  double **cutILPsq;    // mapping the cutoff from element pairs to parameters
-  double **offset;
-  double **normal;
-  double ***dnormdri;
-  double ****dnormal;
-  
-  void read_file( char * );
-  void allocate();
-  void ILP_neigh();
-  
-  /* ----Calculate the long-range cutoff term */
-  inline double calc_Tap(double r_ij, double Rcut) {
-    double Tap,r;
-    double Tap_coeff[8] = {1.0,0.0,0.0,0.0,-35.0,84.0,-70.0,20.0};
-  
-    r = r_ij/Rcut; 
-    if(r >= 1.0) {Tap = 0.0;}
-    else {
-      Tap = Tap_coeff[7] * r + Tap_coeff[6];
-      Tap = Tap * r  + Tap_coeff[5];
-      Tap = Tap * r  + Tap_coeff[4];
-      Tap = Tap * r  + Tap_coeff[3];
-      Tap = Tap * r  + Tap_coeff[2];
-      Tap = Tap * r  + Tap_coeff[1];
-      Tap = Tap * r  + Tap_coeff[0];
-    }
-    return(Tap);
-}
-
-  /* ----Calculate the derivatives of long-range cutoff term */
-  inline double calc_dTap(double r_ij, double Rcut) {
-    double dTap,r;
-    double Tap_coeff[8] = {1.0,0.0,0.0,0.0,-35.0,84.0,-70.0,20.0};
-
-    r = r_ij/Rcut; 
-    if(r >= 1.0) {dTap = 0.0;}
-    else {
-      dTap = 7.0*Tap_coeff[7] * r + 6.0*Tap_coeff[6];
-      dTap = dTap * r  + 5.0*Tap_coeff[5];
-      dTap = dTap * r  + 4.0*Tap_coeff[4];
-      dTap = dTap * r  + 3.0*Tap_coeff[3];
-      dTap = dTap * r  + 2.0*Tap_coeff[2];
-      dTap = dTap * r  + Tap_coeff[1];
-      dTap = dTap/Rcut;
-    }
-    return(dTap);
-  }
-};
-
-}
-
-#endif
-#endif
-
-/* ERROR/WARNING messages:
-
-E: Illegal ... command
-
-Self-explanatory.  Check the input script syntax and compare to the
-documentation for the command.  You can use -echo screen as a
-command-line option when running LAMMPS to see the offending line.
-
-E: Incorrect args for pair coefficients
-
-Self-explanatory.  Check the input script or data file.
-
-E: All pair coeffs are not set
-
-All pair coefficients must be set in the data file or by the
-pair_coeff command before running a simulation.
-
-*/
-
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifdef PAIR_CLASS
+
+PairStyle(ilp/graphene/hbn,PairILPGrapheneHBN)
+
+#else
+
+#ifndef LMP_PAIR_ILP_GRAPHENE_HBN_H
+#define LMP_PAIR_ILP_GRAPHENE_HBN_H
+
+#include "pair.h"
+#include "my_page.h"
+#include <math.h>
+
+namespace LAMMPS_NS {
+
+class PairILPGrapheneHBN : public Pair {
+ public:
+  PairILPGrapheneHBN(class LAMMPS *);
+  virtual ~PairILPGrapheneHBN();
+
+  virtual void compute(int, int);
+  void settings(int, char **);
+  void coeff(int, char **);
+  double init_one(int, int);
+  void init_style();
+  void calc_normal();
+  int pack_forward_comm(int, int *, double *, int, int *);
+  void unpack_forward_comm(int, int, double *);
+  double single(int, int, int, int, double, double, double, double &);
+
+ protected:
+  int me;
+  int maxlocal;                    // size of numneigh, firstneigh arrays
+  int pgsize;                      // size of neighbor page
+  int oneatom;                     // max # of neighbors for one atom
+  MyPage<int> *ipage;              // neighbor list pages
+  int *ILP_numneigh;                // # of pair neighbors for each atom
+  int **ILP_firstneigh;             // ptr to 1st neighbor of each atom
+  int tap_flag;			   // flag to turn on/off taper function
+
+  struct Param {
+    double z0,alpha,epsilon,C,delta,d,sR,reff,C6,S;
+    double delta2inv,seff,lambda,rcut;
+    int ielement,jelement;
+  };
+  Param *params;       // parameter set for I-J interactions
+  char **elements;     // names of unique elements
+  int **elem2param;    // mapping from element pairs to parameters
+  int *map;            // mapping from atom types to elements
+  int nelements;       // # of unique elements
+  int nparams;         // # of stored parameter sets
+  int maxparam;        // max # of parameter sets
+  int nmax;            // max # of atoms
+
+  double cut_global;
+  double cut_normal;
+  double **cut;
+  double **cutILPsq;    // mapping the cutoff from element pairs to parameters
+  double **offset;
+  double **normal;
+  double ***dnormdri;
+  double ****dnormal;
+
+  void read_file( char * );
+  void allocate();
+  void ILP_neigh();
+
+  /* ----Calculate the long-range cutoff term */
+  inline double calc_Tap(double r_ij, double Rcut) {
+    double Tap,r;
+    double Tap_coeff[8] = {1.0,0.0,0.0,0.0,-35.0,84.0,-70.0,20.0};
+
+    r = r_ij/Rcut;
+    if(r >= 1.0) {Tap = 0.0;}
+    else {
+      Tap = Tap_coeff[7] * r + Tap_coeff[6];
+      Tap = Tap * r  + Tap_coeff[5];
+      Tap = Tap * r  + Tap_coeff[4];
+      Tap = Tap * r  + Tap_coeff[3];
+      Tap = Tap * r  + Tap_coeff[2];
+      Tap = Tap * r  + Tap_coeff[1];
+      Tap = Tap * r  + Tap_coeff[0];
+    }
+    return(Tap);
+}
+
+  /* ----Calculate the derivatives of long-range cutoff term */
+  inline double calc_dTap(double r_ij, double Rcut) {
+    double dTap,r;
+    double Tap_coeff[8] = {1.0,0.0,0.0,0.0,-35.0,84.0,-70.0,20.0};
+
+    r = r_ij/Rcut;
+    if(r >= 1.0) {dTap = 0.0;}
+    else {
+      dTap = 7.0*Tap_coeff[7] * r + 6.0*Tap_coeff[6];
+      dTap = dTap * r  + 5.0*Tap_coeff[5];
+      dTap = dTap * r  + 4.0*Tap_coeff[4];
+      dTap = dTap * r  + 3.0*Tap_coeff[3];
+      dTap = dTap * r  + 2.0*Tap_coeff[2];
+      dTap = dTap * r  + Tap_coeff[1];
+      dTap = dTap/Rcut;
+    }
+    return(dTap);
+  }
+};
+
+}
+
+#endif
+#endif
+
+/* ERROR/WARNING messages:
+
+E: Illegal ... command
+
+Self-explanatory.  Check the input script syntax and compare to the
+documentation for the command.  You can use -echo screen as a
+command-line option when running LAMMPS to see the offending line.
+
+E: Incorrect args for pair coefficients
+
+Self-explanatory.  Check the input script or data file.
+
+E: All pair coeffs are not set
+
+All pair coefficients must be set in the data file or by the
+pair_coeff command before running a simulation.
+
+*/
+
diff --git a/src/USER-MISC/pair_kolmogorov_crespi_full.cpp b/src/USER-MISC/pair_kolmogorov_crespi_full.cpp
index 0068144e4a..2521748c69 100644
--- a/src/USER-MISC/pair_kolmogorov_crespi_full.cpp
+++ b/src/USER-MISC/pair_kolmogorov_crespi_full.cpp
@@ -1,1121 +1,1114 @@
-/* ----------------------------------------------------------------------
-   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
-   http://lammps.sandia.gov, Sandia National Laboratories
-   Steve Plimpton, sjplimp@sandia.gov
-
-   Copyright (2003) Sandia Corporation.  Under the terms of Contract
-   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
-   certain rights in this software.  This software is distributed under
-   the GNU General Public License.
-
-   See the README file in the top-level LAMMPS directory.
-------------------------------------------------------------------------- */
-
-/* ----------------------------------------------------------------------
-   Contributing author: Wengen Ouyang (Tel Aviv University)
-   e-mail: w.g.ouyang at gmail dot com
-   based on previous versions by Jaap Kroes
-  
-   This is a complete version of the potential described in
-   [Kolmogorov & Crespi, Phys. Rev. B 71, 235415 (2005)]
-------------------------------------------------------------------------- */
-
-#include <math.h>
-#include <stdio.h>
-#include <stdlib.h>
-#include <string.h>
-#include <mpi.h>
-#include "pair_kolmogorov_crespi_full.h"
-#include "atom.h"
-#include "comm.h"
-#include "force.h"
-#include "neighbor.h"
-#include "neigh_list.h"
-#include "neigh_request.h"
-#include "my_page.h"
-#include "memory.h"
-#include "error.h"
-
-using namespace LAMMPS_NS;
-
-#define MAXLINE 1024
-#define DELTA 4
-#define PGDELTA 1
-
-/* ---------------------------------------------------------------------- */
-
-PairKolmogorovCrespiFull::PairKolmogorovCrespiFull(LAMMPS *lmp) : Pair(lmp)
-{
-  writedata = 1;
-
-  // initialize element to parameter maps
-  nelements = 0;
-  elements = NULL;
-  nparams = maxparam = 0;
-  params = NULL;
-  elem2param = NULL;
-  cutKCsq = NULL;
-  map = NULL;
-
-  nmax = 0;
-  maxlocal = 0;
-  KC_numneigh = NULL;
-  KC_firstneigh = NULL;
-  ipage = NULL;
-  pgsize = oneatom = 0;
-
-  normal = NULL;
-  dnormal = NULL;
-  dnormdri = NULL;
-
-  // always compute energy offset
-  offset_flag = 1;
-
-  // set comm size needed by this Pair
-  comm_forward = 39;
-  tap_flag = 0;
-}
-
-/* ---------------------------------------------------------------------- */
-
-PairKolmogorovCrespiFull::~PairKolmogorovCrespiFull()
-{
-  memory->destroy(KC_numneigh);
-  memory->sfree(KC_firstneigh);
-  delete [] ipage;
-  memory->destroy(normal);
-  memory->destroy(dnormal);
-  memory->destroy(dnormdri);
-  
-  if (allocated) {
-    memory->destroy(setflag);
-    memory->destroy(cutsq);
-    memory->destroy(cut);
-    memory->destroy(offset);
-  }
-
-  if (elements)
-    for (int i = 0; i < nelements; i++) delete [] elements[i];
-  delete [] elements;
-  memory->destroy(params);
-  memory->destroy(elem2param);
-  memory->destroy(cutKCsq);
-  if (allocated) delete [] map;
-}
-
-/* ---------------------------------------------------------------------- */
-
-void PairKolmogorovCrespiFull::compute(int eflag, int vflag)
-{
-  int i,j,ii,jj,inum,jnum,itype,jtype,id,k,l,kk,ll;
-  tagint itag,jtag;
-  double prodnorm1,prodnorm2,fkcx,fkcy,fkcz;
-  double xtmp,ytmp,ztmp,delx,dely,delz,evdwl,fpair,fpair1,fpair2;
-  double rsq,r,rhosq1,rhosq2,exp0,exp1,exp2,r2inv,r6inv,r8inv,Tap,dTap,Vkc;
-  double frho1,frho2,sumC1,sumC2,sumC11,sumC22,sumCff,fsum,rdsq1,rdsq2;
-  int *ilist,*jlist,*numneigh,**firstneigh;
-  int *KC_neighs_i,*KC_neighs_j;
-  
-  evdwl = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = vflag_fdotr = 0;
-
-  double **x = atom->x;
-  double **f = atom->f;
-  int *type = atom->type;
-  tagint *tag = atom->tag;
-  int nlocal = atom->nlocal;
-  int newton_pair = force->newton_pair;
-  double dprodnorm1[3] = {0.0, 0.0, 0.0};
-  double dprodnorm2[3] = {0.0, 0.0, 0.0};
-  double fp1[3] = {0.0, 0.0, 0.0};
-  double fp2[3] = {0.0, 0.0, 0.0};
-  double fprod1[3] = {0.0, 0.0, 0.0};
-  double fprod2[3] = {0.0, 0.0, 0.0};
-
-  inum = list->inum;	
-  ilist = list->ilist;  
-  numneigh = list->numneigh;  
-  firstneigh = list->firstneigh; 
-  // Build full neighbor list
-  KC_neigh(); 
-  // Calculate the normals
-  calc_normal();
-
-  // communicate the normal vector and its derivatives
-  comm->forward_comm_pair(this);
-
-  // loop over neighbors of my atoms
-  for (ii = 0; ii < inum; ii++) {
-    i = ilist[ii];
-    itag = tag[i];
-    xtmp = x[i][0];
-    ytmp = x[i][1];
-    ztmp = x[i][2];
-    itype = type[i];
-    jlist = firstneigh[i];
-    jnum = numneigh[i];
-
-    for (jj = 0; jj < jnum; jj++) {
-      j = jlist[jj];
-      j &= NEIGHMASK;
-      jtype = type[j];
-      jtag = tag[j];
-
-      // two-body interactions from full neighbor list, skip half of them
-      if (itag > jtag) {
-        if ((itag+jtag) % 2 == 0) continue;
-      } else if (itag < jtag) {
-        if ((itag+jtag) % 2 == 1) continue;
-      } else {
-        if (x[j][2] < ztmp) continue;
-        if (x[j][2] == ztmp && x[j][1] < ytmp) continue;
-        if (x[j][2] == ztmp && x[j][1] == ytmp && x[j][0] < xtmp) continue;
-      }
-
-      delx = xtmp - x[j][0];
-      dely = ytmp - x[j][1];
-      delz = ztmp - x[j][2];
-      rsq = delx*delx + dely*dely + delz*delz;
-      
-      // only include the interation between different layers
-      if (rsq < cutsq[itype][jtype] && atom->molecule[i] != atom->molecule[j]) {
-
-        int iparam_ij = elem2param[map[itype]][map[jtype]];
-        Param& p = params[iparam_ij];
-
-        r = sqrt(rsq);
-        r2inv = 1.0/rsq;
-        r6inv = r2inv*r2inv*r2inv;
-        r8inv = r2inv*r6inv;
-	// turn on/off Tapper function
-	if (tap_flag) {
-	  Tap = calc_Tap(r,sqrt(cutsq[itype][jtype]));
-	  dTap = calc_dTap(r,sqrt(cutsq[itype][jtype]));
-	} else {Tap = 1.0; dTap = 0.0;}
-
-        // Calculate the transverse distance
-        // note that rho_ij does not equal to rho_ji except when normals are all along z
-        prodnorm1 = normal[i][0]*delx + normal[i][1]*dely + normal[i][2]*delz;
-        prodnorm2 = normal[j][0]*delx + normal[j][1]*dely + normal[j][2]*delz;
-        rhosq1 = rsq - prodnorm1*prodnorm1;  // rho_ij
-        rhosq2 = rsq - prodnorm2*prodnorm2;  // rho_ji
-        rdsq1 = rhosq1*p.delta2inv; // (rho_ij/delta)^2
-        rdsq2 = rhosq2*p.delta2inv; // (rho_ji/delta)^2
-
-        // store exponents
-        exp0 = exp(-p.lambda*(r-p.z0));
-        exp1 = exp(-rdsq1);
-        exp2 = exp(-rdsq2);
-
-        sumC1 = p.C0 + p.C2*rdsq1 + p.C4*rdsq1*rdsq1; 
-        sumC2 = p.C0 + p.C2*rdsq2 + p.C4*rdsq2*rdsq2; 
-        sumC11 = (p.C2 + 2.0*p.C4*rdsq1)*p.delta2inv;
-        sumC22 = (p.C2 + 2.0*p.C4*rdsq2)*p.delta2inv;
-        frho1 = exp1*sumC1;
-        frho2 = exp2*sumC2;
-        sumCff = p.C + frho1 + frho2;
-	Vkc = -p.A*p.z06*r6inv + exp0*sumCff;
-
-        // derivatives
-        fpair = -6.0*p.A*p.z06*r8inv + p.lambda*exp0/r*sumCff;
-        fpair1 = 2.0*exp0*exp1*(p.delta2inv*sumC1 - sumC11);
-        fpair2 = 2.0*exp0*exp2*(p.delta2inv*sumC2 - sumC22);
-        fsum = fpair + fpair1 + fpair2;
-        // derivatives of the product of rij and ni, the result is a vector
-        dprodnorm1[0] = dnormdri[0][0][i]*delx + dnormdri[1][0][i]*dely + dnormdri[2][0][i]*delz;
-        dprodnorm1[1] = dnormdri[0][1][i]*delx + dnormdri[1][1][i]*dely + dnormdri[2][1][i]*delz;
-        dprodnorm1[2] = dnormdri[0][2][i]*delx + dnormdri[1][2][i]*dely + dnormdri[2][2][i]*delz;
-        // derivatives of the product of rji and nj, the result is a vector
-        dprodnorm2[0] = dnormdri[0][0][j]*delx + dnormdri[1][0][j]*dely + dnormdri[2][0][j]*delz;
-        dprodnorm2[1] = dnormdri[0][1][j]*delx + dnormdri[1][1][j]*dely + dnormdri[2][1][j]*delz;
-        dprodnorm2[2] = dnormdri[0][2][j]*delx + dnormdri[1][2][j]*dely + dnormdri[2][2][j]*delz;
-        fp1[0] = prodnorm1*normal[i][0]*fpair1;
-        fp1[1] = prodnorm1*normal[i][1]*fpair1;
-        fp1[2] = prodnorm1*normal[i][2]*fpair1;
-        fp2[0] = prodnorm2*normal[j][0]*fpair2;
-        fp2[1] = prodnorm2*normal[j][1]*fpair2;
-        fp2[2] = prodnorm2*normal[j][2]*fpair2;
-        fprod1[0] = prodnorm1*dprodnorm1[0]*fpair1;
-        fprod1[1] = prodnorm1*dprodnorm1[1]*fpair1;
-        fprod1[2] = prodnorm1*dprodnorm1[2]*fpair1;
-        fprod2[0] = prodnorm2*dprodnorm2[0]*fpair2;
-        fprod2[1] = prodnorm2*dprodnorm2[1]*fpair2;
-        fprod2[2] = prodnorm2*dprodnorm2[2]*fpair2;
-        fkcx = (delx*fsum - fp1[0] - fp2[0])*Tap - Vkc*dTap*delx/r;
-        fkcy = (dely*fsum - fp1[1] - fp2[1])*Tap - Vkc*dTap*dely/r; 
-        fkcz = (delz*fsum - fp1[2] - fp2[2])*Tap - Vkc*dTap*delz/r; 
-
-        f[i][0] += fkcx - fprod1[0]*Tap;
-        f[i][1] += fkcy - fprod1[1]*Tap;
-        f[i][2] += fkcz - fprod1[2]*Tap;
-        if (newton_pair || j < nlocal) {
-          f[j][0] -= fkcx + fprod2[0]*Tap;
-          f[j][1] -= fkcy + fprod2[1]*Tap;
-          f[j][2] -= fkcz + fprod2[2]*Tap;
-        }
-
-	// calculate the forces acted on the neighbors of atom i from atom j
-	KC_neighs_i = KC_firstneigh[i];
-  	for (kk = 0; kk < KC_numneigh[i]; kk++) {
-	  k = KC_neighs_i[kk];
-          if (k == i) continue;
-          // derivatives of the product of rij and ni respect to rk, k=0,1,2, where atom k is the neighbors of atom i
-          dprodnorm1[0] = dnormal[0][0][kk][i]*delx + dnormal[1][0][kk][i]*dely + dnormal[2][0][kk][i]*delz;
-          dprodnorm1[1] = dnormal[0][1][kk][i]*delx + dnormal[1][1][kk][i]*dely + dnormal[2][1][kk][i]*delz;
-          dprodnorm1[2] = dnormal[0][2][kk][i]*delx + dnormal[1][2][kk][i]*dely + dnormal[2][2][kk][i]*delz;
-	  f[k][0] += (-prodnorm1*dprodnorm1[0]*fpair1)*Tap;
-	  f[k][1] += (-prodnorm1*dprodnorm1[1]*fpair1)*Tap;
-	  f[k][2] += (-prodnorm1*dprodnorm1[2]*fpair1)*Tap;
-	}
-
-	// calculate the forces acted on the neighbors of atom j from atom i
-	KC_neighs_j = KC_firstneigh[j];
-  	for (ll = 0; ll < KC_numneigh[j]; ll++) {
-	  l = KC_neighs_j[ll];
-          if (l == j) continue;
-          if (newton_pair || l < nlocal) {
-            // derivatives of the product of rji and nj respect to rl, l=0,1,2, where atom l is the neighbors of atom j
-            dprodnorm2[0] = dnormal[0][0][ll][j]*delx + dnormal[1][0][ll][j]*dely + dnormal[2][0][ll][j]*delz;
-            dprodnorm2[1] = dnormal[0][1][ll][j]*delx + dnormal[1][1][ll][j]*dely + dnormal[2][1][ll][j]*delz;
-            dprodnorm2[2] = dnormal[0][2][ll][j]*delx + dnormal[1][2][ll][j]*dely + dnormal[2][2][ll][j]*delz;
-	    f[l][0] += (-prodnorm2*dprodnorm2[0]*fpair2)*Tap;
-	    f[l][1] += (-prodnorm2*dprodnorm2[1]*fpair2)*Tap;
-	    f[l][2] += (-prodnorm2*dprodnorm2[2]*fpair2)*Tap;
-	  }
-	}
-
-        if (eflag) {
-          if (tap_flag) evdwl = Tap*Vkc;
-          else  evdwl = Vkc - offset[itype][jtype];
-        }
-
-        if (evflag){
-          ev_tally_xyz(i,j,nlocal,newton_pair,evdwl,0,
-                       fkcx,fkcy,fkcz,delx,dely,delz);
-        }
-      }
-    }
-  }
-  if (vflag_fdotr) virial_fdotr_compute();
-}
-
-/* ----------------------------------------------------------------------
-   Calculate the normals for each atom
-------------------------------------------------------------------------- */
-void PairKolmogorovCrespiFull::calc_normal()
-{
-  int i,j,ii,jj,inum,jnum,itype,jtype;
-  int cont,k,kk,cont1,id,ip,m;
-  tagint itag,jtag;
-  double dist,nn,xtp,ytp,ztp,delx,dely,delz,nn2;
-  int *ilist,*jlist;
-  double pv12[3],pv31[3],pv23[3],n1[3],dni[3],dnn[3][3],vet[3][3],dpvdri[3][3];
-  double dn1[3][3][3],dpv12[3][3][3],dpv23[3][3][3],dpv31[3][3][3];
-
-  double **x = atom->x;
-  int *type = atom->type;
-  int ntypes = atom->ntypes;
-  int nlocal = atom->nlocal;
-  tagint *tag = atom->tag;
-  
-  // grow normal array if necessary
-
-  if (atom->nmax > nmax) {
-    memory->destroy(normal);
-    memory->destroy(dnormal);
-    memory->destroy(dnormdri);
-    nmax = atom->nmax;
-    memory->create(normal,nmax,3,"KolmogorovCrespiFull:normal");
-    memory->create(dnormdri,3,3,nmax,"KolmogorovCrespiFull:dnormdri");
-    memory->create(dnormal,3,3,3,nmax,"KolmogorovCrespiFull:dnormal");
-  }
-
-  inum = list->inum;	
-  ilist = list->ilist;  
-  //Calculate normals
-  for (ii = 0; ii < inum; ii++) {
-    i = ilist[ii];
-    xtp = x[i][0];
-    ytp = x[i][1];
-    ztp = x[i][2];
-    itype = type[i];
-
-    //   Initialize the arrays
-    for (id = 0; id < 3; id++){
-      pv12[id] = 0.0;
-      pv31[id] = 0.0;
-      pv23[id] = 0.0;
-      n1[id] = 0.0;
-      dni[id] = 0.0;
-      normal[i][id] = 0.0;
-      for (ip = 0; ip < 3; ip++){
-        vet[ip][id] = 0.0;
-        dnn[ip][id] = 0.0;
-        dpvdri[ip][id] = 0.0;
-        dnormdri[ip][id][i] = 0.0;
-        for (m = 0; m < 3; m++){
-          dpv12[ip][id][m] = 0.0;
-          dpv31[ip][id][m] = 0.0;
-          dpv23[ip][id][m] = 0.0;
-          dn1[ip][id][m] = 0.0;
-          dnormal[ip][id][m][i] = 0.0;
-        }
-      }
-    }
-
-    cont = 0;
-    jlist = KC_firstneigh[i];
-    jnum = KC_numneigh[i];
-    for (jj = 0; jj < jnum; jj++) {
-      j = jlist[jj];
-      j &= NEIGHMASK;
-      
-      delx = x[j][0] - xtp;
-      dely = x[j][1] - ytp;
-      delz = x[j][2] - ztp;
-      vet[cont][0] = delx;
-      vet[cont][1] = dely;
-      vet[cont][2] = delz;
-      cont++;
-    }
-
-    if (cont <= 1) { 
-      normal[i][0] = 0.0;
-      normal[i][1] = 0.0;
-      normal[i][2] = 1.0;
-      // derivatives of normal vector is zero
-      for (id = 0; id < 3; id++){
-        for (ip = 0; ip < 3; ip++){
-          dnormdri[id][ip][i] = 0.0;
-          for (m = 0; m < 3; m++){
-            dnormal[id][ip][m][i] = 0.0;
-          }
-        } 
-      }
-    }
-    else if (cont == 2) {
-      // for the atoms at the edge who has only two neighbor atoms
-      pv12[0] = vet[0][1]*vet[1][2] - vet[1][1]*vet[0][2];
-      pv12[1] = vet[0][2]*vet[1][0] - vet[1][2]*vet[0][0];
-      pv12[2] = vet[0][0]*vet[1][1] - vet[1][0]*vet[0][1];
-      dpvdri[0][0] = 0.0;
-      dpvdri[0][1] = vet[0][2]-vet[1][2];
-      dpvdri[0][2] = vet[1][1]-vet[0][1];
-      dpvdri[1][0] = vet[1][2]-vet[0][2];
-      dpvdri[1][1] = 0.0;
-      dpvdri[1][2] = vet[0][0]-vet[1][0];
-      dpvdri[2][0] = vet[0][1]-vet[1][1];
-      dpvdri[2][1] = vet[1][0]-vet[0][0];
-      dpvdri[2][2] = 0.0;
-
-      // derivatives respect to the first neighbor, atom k
-      dpv12[0][0][0] =  0.0;
-      dpv12[0][1][0] =  vet[1][2];
-      dpv12[0][2][0] = -vet[1][1];
-      dpv12[1][0][0] = -vet[1][2];
-      dpv12[1][1][0] =  0.0;
-      dpv12[1][2][0] =  vet[1][0];
-      dpv12[2][0][0] =  vet[1][1];
-      dpv12[2][1][0] = -vet[1][0];
-      dpv12[2][2][0] =  0.0;
-      
-      // derivatives respect to the second neighbor, atom l
-      dpv12[0][0][1] =  0.0;
-      dpv12[0][1][1] = -vet[0][2];
-      dpv12[0][2][1] =  vet[0][1];
-      dpv12[1][0][1] =  vet[0][2];
-      dpv12[1][1][1] =  0.0;
-      dpv12[1][2][1] = -vet[0][0];
-      dpv12[2][0][1] = -vet[0][1];
-      dpv12[2][1][1] =  vet[0][0];
-      dpv12[2][2][1] =  0.0;
-
-      // derivatives respect to the third neighbor, atom n
-      for (id = 0; id < 3; id++){
-        for (ip = 0; ip < 3; ip++){
-          dpv12[id][ip][2] = 0.0;
-        } 
-      }
-
-      n1[0] = pv12[0];
-      n1[1] = pv12[1];
-      n1[2] = pv12[2];
-      // the magnitude of the normal vector
-      nn2 = n1[0]*n1[0] + n1[1]*n1[1] + n1[2]*n1[2];
-      nn = sqrt(nn2);
-      if (nn == 0) error->all(FLERR,"The magnitude of the normal vector is zero");
-      // the unit normal vector
-      normal[i][0] = n1[0]/nn;
-      normal[i][1] = n1[1]/nn;
-      normal[i][2] = n1[2]/nn;
-      // derivatives of nn, dnn:3x1 vector
-      dni[0] = (n1[0]*dpvdri[0][0] + n1[1]*dpvdri[1][0] + n1[2]*dpvdri[2][0])/nn;
-      dni[1] = (n1[0]*dpvdri[0][1] + n1[1]*dpvdri[1][1] + n1[2]*dpvdri[2][1])/nn;
-      dni[2] = (n1[0]*dpvdri[0][2] + n1[1]*dpvdri[1][2] + n1[2]*dpvdri[2][2])/nn;
-      // derivatives of unit vector ni respect to ri, the result is 3x3 matrix
-      for (id = 0; id < 3; id++){
-        for (ip = 0; ip < 3; ip++){
-          dnormdri[id][ip][i] = dpvdri[id][ip]/nn - n1[id]*dni[ip]/nn2;
-        }
-      }
-
-      // derivatives of non-normalized normal vector, dn1:3x3x3 array
-      for (id = 0; id < 3; id++){
-        for (ip = 0; ip < 3; ip++){
-          for (m = 0; m < 3; m++){
-            dn1[id][ip][m] = dpv12[id][ip][m];
-          }
-        } 
-      }
-      // derivatives of nn, dnn:3x3 vector
-      // dnn[id][m]: the derivative of nn respect to r[id][m], id,m=0,1,2
-      // r[id][m]: the id's component of atom m
-      for (m = 0; m < 3; m++){
-        for (id = 0; id < 3; id++){
-          dnn[id][m] = (n1[0]*dn1[0][id][m] + n1[1]*dn1[1][id][m] + n1[2]*dn1[2][id][m])/nn;
-        }
-      }
-      // dnormal[id][ip][m][i]: the derivative of normal[id] respect to r[ip][m], id,ip=0,1,2
-      // for atom m, which is a neighbor atom of atom i, m=0,jnum-1
-      for (m = 0; m < 3; m++){
-        for (id = 0; id < 3; id++){
-          for (ip = 0; ip < 3; ip++){
-            dnormal[id][ip][m][i] = dn1[id][ip][m]/nn - n1[id]*dnn[ip][m]/nn2;
-          }
-        }
-      }
-    }
-//##############################################################################################
-
-    else if(cont == 3) {
-      // for the atoms at the edge who has only two neighbor atoms
-      pv12[0] = vet[0][1]*vet[1][2] - vet[1][1]*vet[0][2];
-      pv12[1] = vet[0][2]*vet[1][0] - vet[1][2]*vet[0][0];
-      pv12[2] = vet[0][0]*vet[1][1] - vet[1][0]*vet[0][1];
-      // derivatives respect to the first neighbor, atom k
-      dpv12[0][0][0] =  0.0;
-      dpv12[0][1][0] =  vet[1][2];
-      dpv12[0][2][0] = -vet[1][1];
-      dpv12[1][0][0] = -vet[1][2];
-      dpv12[1][1][0] =  0.0;
-      dpv12[1][2][0] =  vet[1][0];
-      dpv12[2][0][0] =  vet[1][1];
-      dpv12[2][1][0] = -vet[1][0];
-      dpv12[2][2][0] =  0.0;
-      // derivatives respect to the second neighbor, atom l
-      dpv12[0][0][1] =  0.0;
-      dpv12[0][1][1] = -vet[0][2];
-      dpv12[0][2][1] =  vet[0][1];
-      dpv12[1][0][1] =  vet[0][2];
-      dpv12[1][1][1] =  0.0;
-      dpv12[1][2][1] = -vet[0][0];
-      dpv12[2][0][1] = -vet[0][1];
-      dpv12[2][1][1] =  vet[0][0];
-      dpv12[2][2][1] =  0.0;
-
-      // derivatives respect to the third neighbor, atom n
-      for (id = 0; id < 3; id++){
-        for (ip = 0; ip < 3; ip++){
-          dpv12[id][ip][2] = 0.0;
-        } 
-      }
-
-      pv31[0] = vet[2][1]*vet[0][2] - vet[0][1]*vet[2][2];
-      pv31[1] = vet[2][2]*vet[0][0] - vet[0][2]*vet[2][0];
-      pv31[2] = vet[2][0]*vet[0][1] - vet[0][0]*vet[2][1];
-      // derivatives respect to the first neighbor, atom k
-      dpv31[0][0][0] =  0.0;
-      dpv31[0][1][0] = -vet[2][2];
-      dpv31[0][2][0] =  vet[2][1];
-      dpv31[1][0][0] =  vet[2][2];
-      dpv31[1][1][0] =  0.0;
-      dpv31[1][2][0] = -vet[2][0];
-      dpv31[2][0][0] = -vet[2][1];
-      dpv31[2][1][0] =  vet[2][0];
-      dpv31[2][2][0] =  0.0;
-      // derivatives respect to the third neighbor, atom n
-      dpv31[0][0][2] =  0.0;
-      dpv31[0][1][2] =  vet[0][2];
-      dpv31[0][2][2] = -vet[0][1];
-      // derivatives of pv13[1] to rn
-      dpv31[1][0][2] = -vet[0][2];
-      dpv31[1][1][2] =  0.0;
-      dpv31[1][2][2] =  vet[0][0];
-      // derivatives of pv13[2] to rn
-      dpv31[2][0][2] =  vet[0][1];
-      dpv31[2][1][2] = -vet[0][0];
-      dpv31[2][2][2] =  0.0;
-
-      // derivatives respect to the second neighbor, atom l
-      for (id = 0; id < 3; id++){
-        for (ip = 0; ip < 3; ip++){
-          dpv31[id][ip][1] = 0.0;
-        } 
-      }
-
-      pv23[0] = vet[1][1]*vet[2][2] - vet[2][1]*vet[1][2];
-      pv23[1] = vet[1][2]*vet[2][0] - vet[2][2]*vet[1][0];
-      pv23[2] = vet[1][0]*vet[2][1] - vet[2][0]*vet[1][1];
-      // derivatives respect to the second neighbor, atom k
-      for (id = 0; id < 3; id++){
-        for (ip = 0; ip < 3; ip++){
-          dpv23[id][ip][0] = 0.0;
-        } 
-      }
-      // derivatives respect to the second neighbor, atom l
-      dpv23[0][0][1] =  0.0;
-      dpv23[0][1][1] =  vet[2][2];
-      dpv23[0][2][1] = -vet[2][1];
-      dpv23[1][0][1] = -vet[2][2];
-      dpv23[1][1][1] =  0.0;
-      dpv23[1][2][1] =  vet[2][0];
-      dpv23[2][0][1] =  vet[2][1];
-      dpv23[2][1][1] = -vet[2][0];
-      dpv23[2][2][1] =  0.0;
-      // derivatives respect to the third neighbor, atom n
-      dpv23[0][0][2] =  0.0;
-      dpv23[0][1][2] = -vet[1][2];
-      dpv23[0][2][2] =  vet[1][1];
-      dpv23[1][0][2] =  vet[1][2];
-      dpv23[1][1][2] =  0.0;
-      dpv23[1][2][2] = -vet[1][0];
-      dpv23[2][0][2] = -vet[1][1];
-      dpv23[2][1][2] =  vet[1][0];
-      dpv23[2][2][2] =  0.0;
-
-//############################################################################################
-      // average the normal vectors by using the 3 neighboring planes
-      n1[0] = (pv12[0] + pv31[0] + pv23[0])/cont;
-      n1[1] = (pv12[1] + pv31[1] + pv23[1])/cont;
-      n1[2] = (pv12[2] + pv31[2] + pv23[2])/cont;
-      // the magnitude of the normal vector
-      nn2 = n1[0]*n1[0] + n1[1]*n1[1] + n1[2]*n1[2];
-      nn = sqrt(nn2);
-      if (nn == 0) error->all(FLERR,"The magnitude of the normal vector is zero");
-      // the unit normal vector
-      normal[i][0] = n1[0]/nn;
-      normal[i][1] = n1[1]/nn;
-      normal[i][2] = n1[2]/nn;
-
-      // for the central atoms, dnormdri is always zero
-      for (id = 0; id < 3; id++){
-        for (ip = 0; ip < 3; ip++){
-          dnormdri[id][ip][i] = 0.0;
-        }
-      } // end of derivatives of normals respect to atom i
-
-      // derivatives of non-normalized normal vector, dn1:3x3x3 array
-      for (id = 0; id < 3; id++){
-        for (ip = 0; ip < 3; ip++){
-          for (m = 0; m < 3; m++){
-            dn1[id][ip][m] = (dpv12[id][ip][m] + dpv23[id][ip][m] + dpv31[id][ip][m])/cont;
-          }
-        } 
-      }
-      // derivatives of nn, dnn:3x3 vector
-      // dnn[id][m]: the derivative of nn respect to r[id][m], id,m=0,1,2
-      // r[id][m]: the id's component of atom m
-      for (m = 0; m < 3; m++){
-        for (id = 0; id < 3; id++){
-          dnn[id][m] = (n1[0]*dn1[0][id][m] + n1[1]*dn1[1][id][m] + n1[2]*dn1[2][id][m])/nn;
-        }
-      }
-      // dnormal[id][ip][m][i]: the derivative of normal[id] respect to r[ip][m], id,ip=0,1,2
-      // for atom m, which is a neighbor atom of atom i, m=0,jnum-1
-      for (m = 0; m < 3; m++){
-        for (id = 0; id < 3; id++){
-          for (ip = 0; ip < 3; ip++){
-            dnormal[id][ip][m][i] = dn1[id][ip][m]/nn - n1[id]*dnn[ip][m]/nn2;
-          }
-        }
-      }
-    }
-    else {
-      error->all(FLERR,"There are too many neighbors for calculating normals");
-    }
-
-//##############################################################################################
-  }
-}
-
-/* ----------------------------------------------------------------------
-   init specific to this pair style
-------------------------------------------------------------------------- */
-
-void PairKolmogorovCrespiFull::init_style()
-{
-  if (force->newton_pair == 0)
-    error->all(FLERR,"Pair style KC requires newton pair on");
-
-  // need a full neighbor list, including neighbors of ghosts
-
-  int irequest = neighbor->request(this,instance_me);
-  neighbor->requests[irequest]->half = 0;
-  neighbor->requests[irequest]->full = 1;
-  neighbor->requests[irequest]->ghost = 1;
-
-  // local KC neighbor list
-  // create pages if first time or if neighbor pgsize/oneatom has changed
-
-  int create = 0;
-  if (ipage == NULL) create = 1;
-  if (pgsize != neighbor->pgsize) create = 1;
-  if (oneatom != neighbor->oneatom) create = 1;
-
-  if (create) {
-    delete [] ipage;
-    pgsize = neighbor->pgsize;
-    oneatom = neighbor->oneatom;
-
-    int nmypage= comm->nthreads;
-    ipage = new MyPage<int>[nmypage];
-    for (int i = 0; i < nmypage; i++)
-      ipage[i].init(oneatom,pgsize,PGDELTA);
-  }
-}
-
-
-/* ----------------------------------------------------------------------
-   create KC neighbor list from main neighbor list
-   KC neighbor list stores neighbors of ghost atoms
-   KC_numneigh for calcualting normals and
-   KC_pair_numneigh for calculating force
-------------------------------------------------------------------------- */
-
-void PairKolmogorovCrespiFull::KC_neigh()
-{
-  int i,j,ii,jj,n,np,allnum,inum,jnum,itype,jtype;
-  double xtmp,ytmp,ztmp,delx,dely,delz,rsq,dS;
-  int *ilist,*jlist,*numneigh,**firstneigh;
-  int *neighptr;
-
-  double **x = atom->x;
-  int *type = atom->type;
-
-  if (atom->nmax > maxlocal) {
-    maxlocal = atom->nmax;
-    memory->destroy(KC_numneigh);
-    memory->sfree(KC_firstneigh);
-    memory->create(KC_numneigh,maxlocal,"KolmogorovCrespiFull:numneigh");
-    KC_firstneigh = (int **) memory->smalloc(maxlocal*sizeof(int *),
-                                               "KolmogorovCrespiFull:firstneigh");
-  }
-
-  inum = list->inum;
-  allnum = list->inum + list->gnum;
-  ilist = list->ilist;
-  numneigh = list->numneigh;
-  firstneigh = list->firstneigh;
-
-  // store all KC neighs of owned and ghost atoms
-  // scan full neighbor list of I
-
-  ipage->reset();
-
-  for (ii = 0; ii < allnum; ii++) {
-    i = ilist[ii];
-
-    n = 0;
-    neighptr = ipage->vget();
-
-    xtmp = x[i][0];
-    ytmp = x[i][1];
-    ztmp = x[i][2];
-    itype = map[type[i]];
-    jlist = firstneigh[i];
-    jnum = numneigh[i];
-    
-    for (jj = 0; jj < jnum; jj++) {
-      j = jlist[jj];
-      j &= NEIGHMASK;
-      jtype = map[type[j]];
-      delx = xtmp - x[j][0];
-      dely = ytmp - x[j][1];
-      delz = ztmp - x[j][2];
-      rsq = delx*delx + dely*dely + delz*delz;
-
-      if (rsq != 0 && rsq < cutKCsq[itype][jtype] && atom->molecule[i] == atom->molecule[j]) {
-        neighptr[n++] = j;
-      }
-    }
-
-    KC_firstneigh[i] = neighptr;
-    KC_numneigh[i] = n;
-    ipage->vgot(n);
-    if (ipage->status())
-      error->one(FLERR,"Neighbor list overflow, boost neigh_modify one");
-  }
-}
-
-
-/* ----------------------------------------------------------------------
-   allocate all arrays
-------------------------------------------------------------------------- */
-
-void PairKolmogorovCrespiFull::allocate()
-{
-  allocated = 1;
-  int n = atom->ntypes;
-
-  memory->create(setflag,n+1,n+1,"pair:setflag");
-  for (int i = 1; i <= n; i++)
-    for (int j = i; j <= n; j++)
-      setflag[i][j] = 0;
-
-  memory->create(cutsq,n+1,n+1,"pair:cutsq");
-  memory->create(cut,n+1,n+1,"pair:cut");
-  memory->create(offset,n+1,n+1,"pair:offset");
-  map = new int[atom->ntypes+1];
-}
-
-/* ----------------------------------------------------------------------
-   global settings
-------------------------------------------------------------------------- */
-
-void PairKolmogorovCrespiFull::settings(int narg, char **arg)
-{
-  if (narg < 1 || narg > 2) error->all(FLERR,"Illegal pair_style command");
-  if (strcmp(force->pair_style,"hybrid/overlay")!=0)
-    error->all(FLERR,"ERROR: requires hybrid/overlay pair_style");
-
-  cut_global = force->numeric(FLERR,arg[0]);
-  if (narg == 2) tap_flag = force->numeric(FLERR,arg[1]);
-
-  // reset cutoffs that have been explicitly set
-
-  if (allocated) {
-    int i,j;
-    for (i = 1; i <= atom->ntypes; i++)
-      for (j = i; j <= atom->ntypes; j++)
-        if (setflag[i][j]) cut[i][j] = cut_global;
-  }
-}
-
-/* ----------------------------------------------------------------------
-   set coeffs for one or more type pairs
-------------------------------------------------------------------------- */
-
-void PairKolmogorovCrespiFull::coeff(int narg, char **arg)
-{
-  int i,j,n; 
-
-  if (narg != 3 + atom->ntypes) 
-    error->all(FLERR,"Incorrect args for pair coefficients");
-  if (!allocated) allocate();
-
-  int ilo,ihi,jlo,jhi;
-  force->bounds(FLERR,arg[0],atom->ntypes,ilo,ihi);
-  force->bounds(FLERR,arg[1],atom->ntypes,jlo,jhi);
-
-  // read args that map atom types to elements in potential file
-  // map[i] = which element the Ith atom type is, -1 if NULL
-  // nelements = # of unique elements
-  // elements = list of element names
-
-  if (elements) {
-    for (i = 0; i < nelements; i++) delete [] elements[i];
-    delete [] elements;
-  }
-  elements = new char*[atom->ntypes];
-  for (i = 0; i < atom->ntypes; i++) elements[i] = NULL;
-
-  nelements = 0;
-  for (i = 3; i < narg; i++) {
-    if (strcmp(arg[i],"NULL") == 0) {
-      map[i-2] = -1;
-      continue;
-    }
-    for (j = 0; j < nelements; j++)
-      if (strcmp(arg[i],elements[j]) == 0) break;
-    map[i-2] = j;
-    if (j == nelements) {
-      n = strlen(arg[i]) + 1;
-      elements[j] = new char[n];
-      strcpy(elements[j],arg[i]);
-      nelements++;
-    }
-  }
-
-
-  read_file(arg[2]);
-  
-  double cut_one = cut_global;
-
-  int count = 0;
-  for (int i = ilo; i <= ihi; i++) {
-    for (int j = MAX(jlo,i); j <= jhi; j++) {
-      cut[i][j] = cut_one;
-      setflag[i][j] = 1;
-      count++;
-    }
-  }
-
-  if (count == 0) error->all(FLERR,"Incorrect args for pair coefficients");
-}
-
-
-/* ----------------------------------------------------------------------
-   init for one type pair i,j and corresponding j,i
-------------------------------------------------------------------------- */
-
-double PairKolmogorovCrespiFull::init_one(int i, int j)
-{
-  if (setflag[i][j] == 0) error->all(FLERR,"All pair coeffs are not set");
-
-  if (offset_flag && (cut[i][j] > 0.0)) {
-    int iparam_ij = elem2param[map[i]][map[j]];
-    Param& p = params[iparam_ij];
-    offset[i][j] = -p.A*pow(p.z0/cut[i][j],6);
-  } else offset[i][j] = 0.0;
-  offset[j][i] = offset[i][j];
-
-  return cut[i][j];
-}
-
-/* ----------------------------------------------------------------------
-   read Kolmogorov-Crespi potential file
-------------------------------------------------------------------------- */
-
-void PairKolmogorovCrespiFull::read_file(char *filename)
-{
-  int params_per_line = 12;
-  char **words = new char*[params_per_line+1];
-  memory->sfree(params);
-  params = NULL;
-  nparams = maxparam = 0;
-
-  // open file on proc 0
-
-  FILE *fp;
-  if (comm->me == 0) {
-    fp = force->open_potential(filename);
-    if (fp == NULL) {
-      char str[128];
-      sprintf(str,"Cannot open KC potential file %s",filename);
-      error->one(FLERR,str);
-    }
-  }
-
-  // read each line out of file, skipping blank lines or leading '#'
-  // store line of params if all 3 element tags are in element list
-
-  int i,j,n,m,nwords,ielement,jelement;
-  char line[MAXLINE],*ptr;
-  int eof = 0;
-
-  while (1) {
-    if (comm->me == 0) {
-      ptr = fgets(line,MAXLINE,fp);
-      if (ptr == NULL) {
-        eof = 1;
-        fclose(fp);
-      } else n = strlen(line) + 1;
-    }
-    MPI_Bcast(&eof,1,MPI_INT,0,world);
-    if (eof) break;
-    MPI_Bcast(&n,1,MPI_INT,0,world);
-    MPI_Bcast(line,n,MPI_CHAR,0,world);
-
-    // strip comment, skip line if blank
-
-    if ((ptr = strchr(line,'#'))) *ptr = '\0';
-    nwords = atom->count_words(line);
-    if (nwords == 0) continue;
-
-    // concatenate additional lines until have params_per_line words
-
-    while (nwords < params_per_line) {
-      n = strlen(line);
-      if (comm->me == 0) {
-        ptr = fgets(&line[n],MAXLINE-n,fp);
-        if (ptr == NULL) {
-          eof = 1;
-          fclose(fp);
-        } else n = strlen(line) + 1;
-      }
-      MPI_Bcast(&eof,1,MPI_INT,0,world);
-      if (eof) break;
-      MPI_Bcast(&n,1,MPI_INT,0,world);
-      MPI_Bcast(line,n,MPI_CHAR,0,world);
-      if ((ptr = strchr(line,'#'))) *ptr = '\0';
-      nwords = atom->count_words(line);
-    }
-
-    if (nwords != params_per_line)
-      error->all(FLERR,"Insufficient format in KC potential file");
-
-    // words = ptrs to all words in line
-
-    nwords = 0;
-    words[nwords++] = strtok(line," \t\n\r\f");
-    while ((words[nwords++] = strtok(NULL," \t\n\r\f"))) continue;
-
-    // ielement,jelement = 1st args
-    // if these 2 args are in element list, then parse this line
-    // else skip to next line (continue)
-
-    for (ielement = 0; ielement < nelements; ielement++)
-      if (strcmp(words[0],elements[ielement]) == 0) break;
-    if (ielement == nelements) continue;
-    for (jelement = 0; jelement < nelements; jelement++)
-      if (strcmp(words[1],elements[jelement]) == 0) break;
-    if (jelement == nelements) continue;
-
-    // load up parameter settings and error check their values
-
-    if (nparams == maxparam) {
-      maxparam += DELTA;
-      params = (Param *) memory->srealloc(params,maxparam*sizeof(Param),
-                                          "pair:params");
-    }
-
-    params[nparams].ielement = ielement;
-    params[nparams].jelement = jelement;
-    params[nparams].z0       = atof(words[2]);
-    params[nparams].C0       = atof(words[3]);
-    params[nparams].C2       = atof(words[4]);
-    params[nparams].C4       = atof(words[5]);
-    params[nparams].C        = atof(words[6]);
-    params[nparams].delta    = atof(words[7]);
-    params[nparams].lambda   = atof(words[8]);
-    params[nparams].A        = atof(words[9]);
-    // S provides a convenient scaling of all energies
-    params[nparams].S        = atof(words[10]);
-    params[nparams].rcut     = atof(words[11]);
-
-    // energies in meV further scaled by S
-    double meV = 1.0e-3*params[nparams].S; 
-    params[nparams].C *= meV;
-    params[nparams].A *= meV;
-    params[nparams].C0 *= meV;
-    params[nparams].C2 *= meV;
-    params[nparams].C4 *= meV;
-
-    // precompute some quantities
-    params[nparams].delta2inv = pow(params[nparams].delta,-2);
-    params[nparams].z06 = pow(params[nparams].z0,6);
-
-    nparams++;
-    //if(nparams >= pow(atom->ntypes,3)) break;
-  }
-  memory->destroy(elem2param);
-  memory->destroy(cutKCsq);
-  memory->create(elem2param,nelements,nelements,"pair:elem2param");
-  memory->create(cutKCsq,nelements,nelements,"pair:cutKCsq");
-  for (i = 0; i < nelements; i++) {
-    for (j = 0; j < nelements; j++) {
-      n = -1;
-      for (m = 0; m < nparams; m++) {
-        if (i == params[m].ielement && j == params[m].jelement) {
-          if (n >= 0) error->all(FLERR,"Potential file has duplicate entry");
-          n = m;
-        }
-      }
-      if (n < 0) error->all(FLERR,"Potential file is missing an entry");
-      elem2param[i][j] = n;
-      cutKCsq[i][j] = params[n].rcut*params[n].rcut;
-    }
-  }
-  delete [] words;
-}
-
-/* ---------------------------------------------------------------------- */
-
-double PairKolmogorovCrespiFull::single(int i, int j, int itype, int jtype, double rsq,
-                         double factor_coul, double factor_lj,
-                         double &fforce)
-{
-  double r,r2inv,r6inv,r8inv,forcelj,philj;
-  double Tap,dTap,Vkc,fpair;
-
-  int iparam_ij = elem2param[map[itype]][map[jtype]];
-  Param& p = params[iparam_ij];
-
-  r = sqrt(rsq);
-  // turn on/off Tapper function
-  if (tap_flag) {
-    Tap = calc_Tap(r,sqrt(cutsq[itype][jtype]));
-    dTap = calc_dTap(r,sqrt(cutsq[itype][jtype]));
-  } else {Tap = 1.0; dTap = 0.0;}
-
-  r2inv = 1.0/rsq;
-  r6inv = r2inv*r2inv*r2inv;
-  r8inv = r2inv*r6inv;
-
-  Vkc = -p.A*p.z06*r6inv;
-  // derivatives
-  fpair = -6.0*p.A*p.z06*r8inv;
-  forcelj = fpair;
-  fforce = factor_lj*(forcelj*Tap - Vkc*dTap/r);
-
-  if (tap_flag) philj = Vkc*Tap;
-  else philj = Vkc - offset[itype][jtype];
-  return factor_lj*philj;
-}
-
-/* ---------------------------------------------------------------------- */
-
-int PairKolmogorovCrespiFull::pack_forward_comm(int n, int *list, double *buf,
-                               int pbc_flag, int *pbc)
-{
-  int i,j,m,l,ip,id;
-
-  m = 0;
-  for (i = 0; i < n; i++) {
-    j = list[i];
-    buf[m++] = normal[j][0];
-    buf[m++] = normal[j][1];
-    buf[m++] = normal[j][2];
-    buf[m++] = dnormdri[0][0][j];
-    buf[m++] = dnormdri[0][1][j];
-    buf[m++] = dnormdri[0][2][j];
-    buf[m++] = dnormdri[1][0][j];
-    buf[m++] = dnormdri[1][1][j];
-    buf[m++] = dnormdri[1][2][j];
-    buf[m++] = dnormdri[2][0][j];
-    buf[m++] = dnormdri[2][1][j];
-    buf[m++] = dnormdri[2][2][j];
-    for (l = 0; l < 3; l++){
-      for (id = 0; id < 3; id++){
-        for (ip = 0; ip < 3; ip++){
-	  buf[m++] = dnormal[id][ip][l][j];
-        }
-      }
-    }
-  }
-  return m;
-}
-
-/* ---------------------------------------------------------------------- */
-
-void PairKolmogorovCrespiFull::unpack_forward_comm(int n, int first, double *buf)
-{
-  int i,m,last,l,ip,id;
-
-  m = 0;
-  last = first + n; 
-  for (i = first; i < last; i++) {
-    normal[i][0] = buf[m++];
-    normal[i][1] = buf[m++];
-    normal[i][2] = buf[m++];
-    dnormdri[0][0][i] = buf[m++];
-    dnormdri[0][1][i] = buf[m++];
-    dnormdri[0][2][i] = buf[m++];
-    dnormdri[1][0][i] = buf[m++];
-    dnormdri[1][1][i] = buf[m++];
-    dnormdri[1][2][i] = buf[m++];
-    dnormdri[2][0][i] = buf[m++];
-    dnormdri[2][1][i] = buf[m++];
-    dnormdri[2][2][i] = buf[m++];
-    for (l = 0; l < 3; l++){
-      for (id = 0; id < 3; id++){
-        for (ip = 0; ip < 3; ip++){
-	  dnormal[id][ip][l][i] = buf[m++];
-        }
-      }
-    }
-  }
-}
-
-/* ---------------------------------------------------------------------- */
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+/* ----------------------------------------------------------------------
+   Contributing author: Wengen Ouyang (Tel Aviv University)
+   e-mail: w.g.ouyang at gmail dot com
+   based on previous versions by Jaap Kroes
+
+   This is a complete version of the potential described in
+   [Kolmogorov & Crespi, Phys. Rev. B 71, 235415 (2005)]
+------------------------------------------------------------------------- */
+
+#include <math.h>
+#include <stdio.h>
+#include <stdlib.h>
+#include <string.h>
+#include <mpi.h>
+#include "pair_kolmogorov_crespi_full.h"
+#include "atom.h"
+#include "comm.h"
+#include "force.h"
+#include "neighbor.h"
+#include "neigh_list.h"
+#include "neigh_request.h"
+#include "my_page.h"
+#include "memory.h"
+#include "error.h"
+
+using namespace LAMMPS_NS;
+
+#define MAXLINE 1024
+#define DELTA 4
+#define PGDELTA 1
+
+/* ---------------------------------------------------------------------- */
+
+PairKolmogorovCrespiFull::PairKolmogorovCrespiFull(LAMMPS *lmp) : Pair(lmp)
+{
+  writedata = 1;
+
+  // initialize element to parameter maps
+  nelements = 0;
+  elements = NULL;
+  nparams = maxparam = 0;
+  params = NULL;
+  elem2param = NULL;
+  cutKCsq = NULL;
+  map = NULL;
+
+  nmax = 0;
+  maxlocal = 0;
+  KC_numneigh = NULL;
+  KC_firstneigh = NULL;
+  ipage = NULL;
+  pgsize = oneatom = 0;
+
+  normal = NULL;
+  dnormal = NULL;
+  dnormdri = NULL;
+
+  // always compute energy offset
+  offset_flag = 1;
+
+  // set comm size needed by this Pair
+  comm_forward = 39;
+  tap_flag = 0;
+}
+
+/* ---------------------------------------------------------------------- */
+
+PairKolmogorovCrespiFull::~PairKolmogorovCrespiFull()
+{
+  memory->destroy(KC_numneigh);
+  memory->sfree(KC_firstneigh);
+  delete [] ipage;
+  memory->destroy(normal);
+  memory->destroy(dnormal);
+  memory->destroy(dnormdri);
+
+  if (allocated) {
+    memory->destroy(setflag);
+    memory->destroy(cutsq);
+    memory->destroy(cut);
+    memory->destroy(offset);
+  }
+
+  if (elements)
+    for (int i = 0; i < nelements; i++) delete [] elements[i];
+  delete [] elements;
+  memory->destroy(params);
+  memory->destroy(elem2param);
+  memory->destroy(cutKCsq);
+  if (allocated) delete [] map;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void PairKolmogorovCrespiFull::compute(int eflag, int vflag)
+{
+  int i,j,ii,jj,inum,jnum,itype,jtype,k,l,kk,ll;
+  tagint itag,jtag;
+  double prodnorm1,prodnorm2,fkcx,fkcy,fkcz;
+  double xtmp,ytmp,ztmp,delx,dely,delz,evdwl,fpair,fpair1,fpair2;
+  double rsq,r,rhosq1,rhosq2,exp0,exp1,exp2,r2inv,r6inv,r8inv,Tap,dTap,Vkc;
+  double frho1,frho2,sumC1,sumC2,sumC11,sumC22,sumCff,fsum,rdsq1,rdsq2;
+  int *ilist,*jlist,*numneigh,**firstneigh;
+  int *KC_neighs_i,*KC_neighs_j;
+
+  evdwl = 0.0;
+  if (eflag || vflag) ev_setup(eflag,vflag);
+  else evflag = vflag_fdotr = 0;
+
+  double **x = atom->x;
+  double **f = atom->f;
+  int *type = atom->type;
+  tagint *tag = atom->tag;
+  int nlocal = atom->nlocal;
+  int newton_pair = force->newton_pair;
+  double dprodnorm1[3] = {0.0, 0.0, 0.0};
+  double dprodnorm2[3] = {0.0, 0.0, 0.0};
+  double fp1[3] = {0.0, 0.0, 0.0};
+  double fp2[3] = {0.0, 0.0, 0.0};
+  double fprod1[3] = {0.0, 0.0, 0.0};
+  double fprod2[3] = {0.0, 0.0, 0.0};
+
+  inum = list->inum;	
+  ilist = list->ilist;
+  numneigh = list->numneigh;
+  firstneigh = list->firstneigh;
+  // Build full neighbor list
+  KC_neigh();
+  // Calculate the normals
+  calc_normal();
+
+  // communicate the normal vector and its derivatives
+  comm->forward_comm_pair(this);
+
+  // loop over neighbors of my atoms
+  for (ii = 0; ii < inum; ii++) {
+    i = ilist[ii];
+    itag = tag[i];
+    xtmp = x[i][0];
+    ytmp = x[i][1];
+    ztmp = x[i][2];
+    itype = type[i];
+    jlist = firstneigh[i];
+    jnum = numneigh[i];
+
+    for (jj = 0; jj < jnum; jj++) {
+      j = jlist[jj];
+      j &= NEIGHMASK;
+      jtype = type[j];
+      jtag = tag[j];
+
+      // two-body interactions from full neighbor list, skip half of them
+      if (itag > jtag) {
+        if ((itag+jtag) % 2 == 0) continue;
+      } else if (itag < jtag) {
+        if ((itag+jtag) % 2 == 1) continue;
+      } else {
+        if (x[j][2] < ztmp) continue;
+        if (x[j][2] == ztmp && x[j][1] < ytmp) continue;
+        if (x[j][2] == ztmp && x[j][1] == ytmp && x[j][0] < xtmp) continue;
+      }
+
+      delx = xtmp - x[j][0];
+      dely = ytmp - x[j][1];
+      delz = ztmp - x[j][2];
+      rsq = delx*delx + dely*dely + delz*delz;
+
+      // only include the interation between different layers
+      if (rsq < cutsq[itype][jtype] && atom->molecule[i] != atom->molecule[j]) {
+
+        int iparam_ij = elem2param[map[itype]][map[jtype]];
+        Param& p = params[iparam_ij];
+
+        r = sqrt(rsq);
+        r2inv = 1.0/rsq;
+        r6inv = r2inv*r2inv*r2inv;
+        r8inv = r2inv*r6inv;
+	// turn on/off taper function
+	if (tap_flag) {
+	  Tap = calc_Tap(r,sqrt(cutsq[itype][jtype]));
+	  dTap = calc_dTap(r,sqrt(cutsq[itype][jtype]));
+	} else {Tap = 1.0; dTap = 0.0;}
+
+        // Calculate the transverse distance
+        // note that rho_ij does not equal to rho_ji except when normals are all along z
+        prodnorm1 = normal[i][0]*delx + normal[i][1]*dely + normal[i][2]*delz;
+        prodnorm2 = normal[j][0]*delx + normal[j][1]*dely + normal[j][2]*delz;
+        rhosq1 = rsq - prodnorm1*prodnorm1;  // rho_ij
+        rhosq2 = rsq - prodnorm2*prodnorm2;  // rho_ji
+        rdsq1 = rhosq1*p.delta2inv; // (rho_ij/delta)^2
+        rdsq2 = rhosq2*p.delta2inv; // (rho_ji/delta)^2
+
+        // store exponents
+        exp0 = exp(-p.lambda*(r-p.z0));
+        exp1 = exp(-rdsq1);
+        exp2 = exp(-rdsq2);
+
+        sumC1 = p.C0 + p.C2*rdsq1 + p.C4*rdsq1*rdsq1;
+        sumC2 = p.C0 + p.C2*rdsq2 + p.C4*rdsq2*rdsq2;
+        sumC11 = (p.C2 + 2.0*p.C4*rdsq1)*p.delta2inv;
+        sumC22 = (p.C2 + 2.0*p.C4*rdsq2)*p.delta2inv;
+        frho1 = exp1*sumC1;
+        frho2 = exp2*sumC2;
+        sumCff = p.C + frho1 + frho2;
+	Vkc = -p.A*p.z06*r6inv + exp0*sumCff;
+
+        // derivatives
+        fpair = -6.0*p.A*p.z06*r8inv + p.lambda*exp0/r*sumCff;
+        fpair1 = 2.0*exp0*exp1*(p.delta2inv*sumC1 - sumC11);
+        fpair2 = 2.0*exp0*exp2*(p.delta2inv*sumC2 - sumC22);
+        fsum = fpair + fpair1 + fpair2;
+        // derivatives of the product of rij and ni, the result is a vector
+        dprodnorm1[0] = dnormdri[0][0][i]*delx + dnormdri[1][0][i]*dely + dnormdri[2][0][i]*delz;
+        dprodnorm1[1] = dnormdri[0][1][i]*delx + dnormdri[1][1][i]*dely + dnormdri[2][1][i]*delz;
+        dprodnorm1[2] = dnormdri[0][2][i]*delx + dnormdri[1][2][i]*dely + dnormdri[2][2][i]*delz;
+        // derivatives of the product of rji and nj, the result is a vector
+        dprodnorm2[0] = dnormdri[0][0][j]*delx + dnormdri[1][0][j]*dely + dnormdri[2][0][j]*delz;
+        dprodnorm2[1] = dnormdri[0][1][j]*delx + dnormdri[1][1][j]*dely + dnormdri[2][1][j]*delz;
+        dprodnorm2[2] = dnormdri[0][2][j]*delx + dnormdri[1][2][j]*dely + dnormdri[2][2][j]*delz;
+        fp1[0] = prodnorm1*normal[i][0]*fpair1;
+        fp1[1] = prodnorm1*normal[i][1]*fpair1;
+        fp1[2] = prodnorm1*normal[i][2]*fpair1;
+        fp2[0] = prodnorm2*normal[j][0]*fpair2;
+        fp2[1] = prodnorm2*normal[j][1]*fpair2;
+        fp2[2] = prodnorm2*normal[j][2]*fpair2;
+        fprod1[0] = prodnorm1*dprodnorm1[0]*fpair1;
+        fprod1[1] = prodnorm1*dprodnorm1[1]*fpair1;
+        fprod1[2] = prodnorm1*dprodnorm1[2]*fpair1;
+        fprod2[0] = prodnorm2*dprodnorm2[0]*fpair2;
+        fprod2[1] = prodnorm2*dprodnorm2[1]*fpair2;
+        fprod2[2] = prodnorm2*dprodnorm2[2]*fpair2;
+        fkcx = (delx*fsum - fp1[0] - fp2[0])*Tap - Vkc*dTap*delx/r;
+        fkcy = (dely*fsum - fp1[1] - fp2[1])*Tap - Vkc*dTap*dely/r;
+        fkcz = (delz*fsum - fp1[2] - fp2[2])*Tap - Vkc*dTap*delz/r;
+
+        f[i][0] += fkcx - fprod1[0]*Tap;
+        f[i][1] += fkcy - fprod1[1]*Tap;
+        f[i][2] += fkcz - fprod1[2]*Tap;
+        if (newton_pair || j < nlocal) {
+          f[j][0] -= fkcx + fprod2[0]*Tap;
+          f[j][1] -= fkcy + fprod2[1]*Tap;
+          f[j][2] -= fkcz + fprod2[2]*Tap;
+        }
+
+	// calculate the forces acted on the neighbors of atom i from atom j
+	KC_neighs_i = KC_firstneigh[i];
+  	for (kk = 0; kk < KC_numneigh[i]; kk++) {
+	  k = KC_neighs_i[kk];
+          if (k == i) continue;
+          // derivatives of the product of rij and ni respect to rk, k=0,1,2, where atom k is the neighbors of atom i
+          dprodnorm1[0] = dnormal[0][0][kk][i]*delx + dnormal[1][0][kk][i]*dely + dnormal[2][0][kk][i]*delz;
+          dprodnorm1[1] = dnormal[0][1][kk][i]*delx + dnormal[1][1][kk][i]*dely + dnormal[2][1][kk][i]*delz;
+          dprodnorm1[2] = dnormal[0][2][kk][i]*delx + dnormal[1][2][kk][i]*dely + dnormal[2][2][kk][i]*delz;
+	  f[k][0] += (-prodnorm1*dprodnorm1[0]*fpair1)*Tap;
+	  f[k][1] += (-prodnorm1*dprodnorm1[1]*fpair1)*Tap;
+	  f[k][2] += (-prodnorm1*dprodnorm1[2]*fpair1)*Tap;
+	}
+
+	// calculate the forces acted on the neighbors of atom j from atom i
+	KC_neighs_j = KC_firstneigh[j];
+  	for (ll = 0; ll < KC_numneigh[j]; ll++) {
+	  l = KC_neighs_j[ll];
+          if (l == j) continue;
+          if (newton_pair || l < nlocal) {
+            // derivatives of the product of rji and nj respect to rl, l=0,1,2, where atom l is the neighbors of atom j
+            dprodnorm2[0] = dnormal[0][0][ll][j]*delx + dnormal[1][0][ll][j]*dely + dnormal[2][0][ll][j]*delz;
+            dprodnorm2[1] = dnormal[0][1][ll][j]*delx + dnormal[1][1][ll][j]*dely + dnormal[2][1][ll][j]*delz;
+            dprodnorm2[2] = dnormal[0][2][ll][j]*delx + dnormal[1][2][ll][j]*dely + dnormal[2][2][ll][j]*delz;
+	    f[l][0] += (-prodnorm2*dprodnorm2[0]*fpair2)*Tap;
+	    f[l][1] += (-prodnorm2*dprodnorm2[1]*fpair2)*Tap;
+	    f[l][2] += (-prodnorm2*dprodnorm2[2]*fpair2)*Tap;
+	  }
+	}
+
+        if (eflag) {
+          if (tap_flag) evdwl = Tap*Vkc;
+          else  evdwl = Vkc - offset[itype][jtype];
+        }
+
+        if (evflag){
+          ev_tally_xyz(i,j,nlocal,newton_pair,evdwl,0,
+                       fkcx,fkcy,fkcz,delx,dely,delz);
+        }
+      }
+    }
+  }
+  if (vflag_fdotr) virial_fdotr_compute();
+}
+
+/* ----------------------------------------------------------------------
+   Calculate the normals for each atom
+------------------------------------------------------------------------- */
+void PairKolmogorovCrespiFull::calc_normal()
+{
+  int i,j,ii,jj,inum,jnum;
+  int cont,id,ip,m;
+  double nn,xtp,ytp,ztp,delx,dely,delz,nn2;
+  int *ilist,*jlist;
+  double pv12[3],pv31[3],pv23[3],n1[3],dni[3],dnn[3][3],vet[3][3],dpvdri[3][3];
+  double dn1[3][3][3],dpv12[3][3][3],dpv23[3][3][3],dpv31[3][3][3];
+
+  double **x = atom->x;
+
+  // grow normal array if necessary
+
+  if (atom->nmax > nmax) {
+    memory->destroy(normal);
+    memory->destroy(dnormal);
+    memory->destroy(dnormdri);
+    nmax = atom->nmax;
+    memory->create(normal,nmax,3,"KolmogorovCrespiFull:normal");
+    memory->create(dnormdri,3,3,nmax,"KolmogorovCrespiFull:dnormdri");
+    memory->create(dnormal,3,3,3,nmax,"KolmogorovCrespiFull:dnormal");
+  }
+
+  inum = list->inum;	
+  ilist = list->ilist;
+  //Calculate normals
+  for (ii = 0; ii < inum; ii++) {
+    i = ilist[ii];
+    xtp = x[i][0];
+    ytp = x[i][1];
+    ztp = x[i][2];
+
+    //   Initialize the arrays
+    for (id = 0; id < 3; id++){
+      pv12[id] = 0.0;
+      pv31[id] = 0.0;
+      pv23[id] = 0.0;
+      n1[id] = 0.0;
+      dni[id] = 0.0;
+      normal[i][id] = 0.0;
+      for (ip = 0; ip < 3; ip++){
+        vet[ip][id] = 0.0;
+        dnn[ip][id] = 0.0;
+        dpvdri[ip][id] = 0.0;
+        dnormdri[ip][id][i] = 0.0;
+        for (m = 0; m < 3; m++){
+          dpv12[ip][id][m] = 0.0;
+          dpv31[ip][id][m] = 0.0;
+          dpv23[ip][id][m] = 0.0;
+          dn1[ip][id][m] = 0.0;
+          dnormal[ip][id][m][i] = 0.0;
+        }
+      }
+    }
+
+    cont = 0;
+    jlist = KC_firstneigh[i];
+    jnum = KC_numneigh[i];
+    for (jj = 0; jj < jnum; jj++) {
+      j = jlist[jj];
+      j &= NEIGHMASK;
+
+      delx = x[j][0] - xtp;
+      dely = x[j][1] - ytp;
+      delz = x[j][2] - ztp;
+      vet[cont][0] = delx;
+      vet[cont][1] = dely;
+      vet[cont][2] = delz;
+      cont++;
+    }
+
+    if (cont <= 1) {
+      normal[i][0] = 0.0;
+      normal[i][1] = 0.0;
+      normal[i][2] = 1.0;
+      // derivatives of normal vector is zero
+      for (id = 0; id < 3; id++){
+        for (ip = 0; ip < 3; ip++){
+          dnormdri[id][ip][i] = 0.0;
+          for (m = 0; m < 3; m++){
+            dnormal[id][ip][m][i] = 0.0;
+          }
+        }
+      }
+    }
+    else if (cont == 2) {
+      // for the atoms at the edge who has only two neighbor atoms
+      pv12[0] = vet[0][1]*vet[1][2] - vet[1][1]*vet[0][2];
+      pv12[1] = vet[0][2]*vet[1][0] - vet[1][2]*vet[0][0];
+      pv12[2] = vet[0][0]*vet[1][1] - vet[1][0]*vet[0][1];
+      dpvdri[0][0] = 0.0;
+      dpvdri[0][1] = vet[0][2]-vet[1][2];
+      dpvdri[0][2] = vet[1][1]-vet[0][1];
+      dpvdri[1][0] = vet[1][2]-vet[0][2];
+      dpvdri[1][1] = 0.0;
+      dpvdri[1][2] = vet[0][0]-vet[1][0];
+      dpvdri[2][0] = vet[0][1]-vet[1][1];
+      dpvdri[2][1] = vet[1][0]-vet[0][0];
+      dpvdri[2][2] = 0.0;
+
+      // derivatives respect to the first neighbor, atom k
+      dpv12[0][0][0] =  0.0;
+      dpv12[0][1][0] =  vet[1][2];
+      dpv12[0][2][0] = -vet[1][1];
+      dpv12[1][0][0] = -vet[1][2];
+      dpv12[1][1][0] =  0.0;
+      dpv12[1][2][0] =  vet[1][0];
+      dpv12[2][0][0] =  vet[1][1];
+      dpv12[2][1][0] = -vet[1][0];
+      dpv12[2][2][0] =  0.0;
+
+      // derivatives respect to the second neighbor, atom l
+      dpv12[0][0][1] =  0.0;
+      dpv12[0][1][1] = -vet[0][2];
+      dpv12[0][2][1] =  vet[0][1];
+      dpv12[1][0][1] =  vet[0][2];
+      dpv12[1][1][1] =  0.0;
+      dpv12[1][2][1] = -vet[0][0];
+      dpv12[2][0][1] = -vet[0][1];
+      dpv12[2][1][1] =  vet[0][0];
+      dpv12[2][2][1] =  0.0;
+
+      // derivatives respect to the third neighbor, atom n
+      for (id = 0; id < 3; id++){
+        for (ip = 0; ip < 3; ip++){
+          dpv12[id][ip][2] = 0.0;
+        }
+      }
+
+      n1[0] = pv12[0];
+      n1[1] = pv12[1];
+      n1[2] = pv12[2];
+      // the magnitude of the normal vector
+      nn2 = n1[0]*n1[0] + n1[1]*n1[1] + n1[2]*n1[2];
+      nn = sqrt(nn2);
+      if (nn == 0) error->all(FLERR,"The magnitude of the normal vector is zero");
+      // the unit normal vector
+      normal[i][0] = n1[0]/nn;
+      normal[i][1] = n1[1]/nn;
+      normal[i][2] = n1[2]/nn;
+      // derivatives of nn, dnn:3x1 vector
+      dni[0] = (n1[0]*dpvdri[0][0] + n1[1]*dpvdri[1][0] + n1[2]*dpvdri[2][0])/nn;
+      dni[1] = (n1[0]*dpvdri[0][1] + n1[1]*dpvdri[1][1] + n1[2]*dpvdri[2][1])/nn;
+      dni[2] = (n1[0]*dpvdri[0][2] + n1[1]*dpvdri[1][2] + n1[2]*dpvdri[2][2])/nn;
+      // derivatives of unit vector ni respect to ri, the result is 3x3 matrix
+      for (id = 0; id < 3; id++){
+        for (ip = 0; ip < 3; ip++){
+          dnormdri[id][ip][i] = dpvdri[id][ip]/nn - n1[id]*dni[ip]/nn2;
+        }
+      }
+
+      // derivatives of non-normalized normal vector, dn1:3x3x3 array
+      for (id = 0; id < 3; id++){
+        for (ip = 0; ip < 3; ip++){
+          for (m = 0; m < 3; m++){
+            dn1[id][ip][m] = dpv12[id][ip][m];
+          }
+        }
+      }
+      // derivatives of nn, dnn:3x3 vector
+      // dnn[id][m]: the derivative of nn respect to r[id][m], id,m=0,1,2
+      // r[id][m]: the id's component of atom m
+      for (m = 0; m < 3; m++){
+        for (id = 0; id < 3; id++){
+          dnn[id][m] = (n1[0]*dn1[0][id][m] + n1[1]*dn1[1][id][m] + n1[2]*dn1[2][id][m])/nn;
+        }
+      }
+      // dnormal[id][ip][m][i]: the derivative of normal[id] respect to r[ip][m], id,ip=0,1,2
+      // for atom m, which is a neighbor atom of atom i, m=0,jnum-1
+      for (m = 0; m < 3; m++){
+        for (id = 0; id < 3; id++){
+          for (ip = 0; ip < 3; ip++){
+            dnormal[id][ip][m][i] = dn1[id][ip][m]/nn - n1[id]*dnn[ip][m]/nn2;
+          }
+        }
+      }
+    }
+//##############################################################################################
+
+    else if(cont == 3) {
+      // for the atoms at the edge who has only two neighbor atoms
+      pv12[0] = vet[0][1]*vet[1][2] - vet[1][1]*vet[0][2];
+      pv12[1] = vet[0][2]*vet[1][0] - vet[1][2]*vet[0][0];
+      pv12[2] = vet[0][0]*vet[1][1] - vet[1][0]*vet[0][1];
+      // derivatives respect to the first neighbor, atom k
+      dpv12[0][0][0] =  0.0;
+      dpv12[0][1][0] =  vet[1][2];
+      dpv12[0][2][0] = -vet[1][1];
+      dpv12[1][0][0] = -vet[1][2];
+      dpv12[1][1][0] =  0.0;
+      dpv12[1][2][0] =  vet[1][0];
+      dpv12[2][0][0] =  vet[1][1];
+      dpv12[2][1][0] = -vet[1][0];
+      dpv12[2][2][0] =  0.0;
+      // derivatives respect to the second neighbor, atom l
+      dpv12[0][0][1] =  0.0;
+      dpv12[0][1][1] = -vet[0][2];
+      dpv12[0][2][1] =  vet[0][1];
+      dpv12[1][0][1] =  vet[0][2];
+      dpv12[1][1][1] =  0.0;
+      dpv12[1][2][1] = -vet[0][0];
+      dpv12[2][0][1] = -vet[0][1];
+      dpv12[2][1][1] =  vet[0][0];
+      dpv12[2][2][1] =  0.0;
+
+      // derivatives respect to the third neighbor, atom n
+      for (id = 0; id < 3; id++){
+        for (ip = 0; ip < 3; ip++){
+          dpv12[id][ip][2] = 0.0;
+        }
+      }
+
+      pv31[0] = vet[2][1]*vet[0][2] - vet[0][1]*vet[2][2];
+      pv31[1] = vet[2][2]*vet[0][0] - vet[0][2]*vet[2][0];
+      pv31[2] = vet[2][0]*vet[0][1] - vet[0][0]*vet[2][1];
+      // derivatives respect to the first neighbor, atom k
+      dpv31[0][0][0] =  0.0;
+      dpv31[0][1][0] = -vet[2][2];
+      dpv31[0][2][0] =  vet[2][1];
+      dpv31[1][0][0] =  vet[2][2];
+      dpv31[1][1][0] =  0.0;
+      dpv31[1][2][0] = -vet[2][0];
+      dpv31[2][0][0] = -vet[2][1];
+      dpv31[2][1][0] =  vet[2][0];
+      dpv31[2][2][0] =  0.0;
+      // derivatives respect to the third neighbor, atom n
+      dpv31[0][0][2] =  0.0;
+      dpv31[0][1][2] =  vet[0][2];
+      dpv31[0][2][2] = -vet[0][1];
+      // derivatives of pv13[1] to rn
+      dpv31[1][0][2] = -vet[0][2];
+      dpv31[1][1][2] =  0.0;
+      dpv31[1][2][2] =  vet[0][0];
+      // derivatives of pv13[2] to rn
+      dpv31[2][0][2] =  vet[0][1];
+      dpv31[2][1][2] = -vet[0][0];
+      dpv31[2][2][2] =  0.0;
+
+      // derivatives respect to the second neighbor, atom l
+      for (id = 0; id < 3; id++){
+        for (ip = 0; ip < 3; ip++){
+          dpv31[id][ip][1] = 0.0;
+        }
+      }
+
+      pv23[0] = vet[1][1]*vet[2][2] - vet[2][1]*vet[1][2];
+      pv23[1] = vet[1][2]*vet[2][0] - vet[2][2]*vet[1][0];
+      pv23[2] = vet[1][0]*vet[2][1] - vet[2][0]*vet[1][1];
+      // derivatives respect to the second neighbor, atom k
+      for (id = 0; id < 3; id++){
+        for (ip = 0; ip < 3; ip++){
+          dpv23[id][ip][0] = 0.0;
+        }
+      }
+      // derivatives respect to the second neighbor, atom l
+      dpv23[0][0][1] =  0.0;
+      dpv23[0][1][1] =  vet[2][2];
+      dpv23[0][2][1] = -vet[2][1];
+      dpv23[1][0][1] = -vet[2][2];
+      dpv23[1][1][1] =  0.0;
+      dpv23[1][2][1] =  vet[2][0];
+      dpv23[2][0][1] =  vet[2][1];
+      dpv23[2][1][1] = -vet[2][0];
+      dpv23[2][2][1] =  0.0;
+      // derivatives respect to the third neighbor, atom n
+      dpv23[0][0][2] =  0.0;
+      dpv23[0][1][2] = -vet[1][2];
+      dpv23[0][2][2] =  vet[1][1];
+      dpv23[1][0][2] =  vet[1][2];
+      dpv23[1][1][2] =  0.0;
+      dpv23[1][2][2] = -vet[1][0];
+      dpv23[2][0][2] = -vet[1][1];
+      dpv23[2][1][2] =  vet[1][0];
+      dpv23[2][2][2] =  0.0;
+
+//############################################################################################
+      // average the normal vectors by using the 3 neighboring planes
+      n1[0] = (pv12[0] + pv31[0] + pv23[0])/cont;
+      n1[1] = (pv12[1] + pv31[1] + pv23[1])/cont;
+      n1[2] = (pv12[2] + pv31[2] + pv23[2])/cont;
+      // the magnitude of the normal vector
+      nn2 = n1[0]*n1[0] + n1[1]*n1[1] + n1[2]*n1[2];
+      nn = sqrt(nn2);
+      if (nn == 0) error->all(FLERR,"The magnitude of the normal vector is zero");
+      // the unit normal vector
+      normal[i][0] = n1[0]/nn;
+      normal[i][1] = n1[1]/nn;
+      normal[i][2] = n1[2]/nn;
+
+      // for the central atoms, dnormdri is always zero
+      for (id = 0; id < 3; id++){
+        for (ip = 0; ip < 3; ip++){
+          dnormdri[id][ip][i] = 0.0;
+        }
+      } // end of derivatives of normals respect to atom i
+
+      // derivatives of non-normalized normal vector, dn1:3x3x3 array
+      for (id = 0; id < 3; id++){
+        for (ip = 0; ip < 3; ip++){
+          for (m = 0; m < 3; m++){
+            dn1[id][ip][m] = (dpv12[id][ip][m] + dpv23[id][ip][m] + dpv31[id][ip][m])/cont;
+          }
+        }
+      }
+      // derivatives of nn, dnn:3x3 vector
+      // dnn[id][m]: the derivative of nn respect to r[id][m], id,m=0,1,2
+      // r[id][m]: the id's component of atom m
+      for (m = 0; m < 3; m++){
+        for (id = 0; id < 3; id++){
+          dnn[id][m] = (n1[0]*dn1[0][id][m] + n1[1]*dn1[1][id][m] + n1[2]*dn1[2][id][m])/nn;
+        }
+      }
+      // dnormal[id][ip][m][i]: the derivative of normal[id] respect to r[ip][m], id,ip=0,1,2
+      // for atom m, which is a neighbor atom of atom i, m=0,jnum-1
+      for (m = 0; m < 3; m++){
+        for (id = 0; id < 3; id++){
+          for (ip = 0; ip < 3; ip++){
+            dnormal[id][ip][m][i] = dn1[id][ip][m]/nn - n1[id]*dnn[ip][m]/nn2;
+          }
+        }
+      }
+    }
+    else {
+      error->all(FLERR,"There are too many neighbors for calculating normals");
+    }
+
+//##############################################################################################
+  }
+}
+
+/* ----------------------------------------------------------------------
+   init specific to this pair style
+------------------------------------------------------------------------- */
+
+void PairKolmogorovCrespiFull::init_style()
+{
+  if (force->newton_pair == 0)
+    error->all(FLERR,"Pair style KC requires newton pair on");
+
+  // need a full neighbor list, including neighbors of ghosts
+
+  int irequest = neighbor->request(this,instance_me);
+  neighbor->requests[irequest]->half = 0;
+  neighbor->requests[irequest]->full = 1;
+  neighbor->requests[irequest]->ghost = 1;
+
+  // local KC neighbor list
+  // create pages if first time or if neighbor pgsize/oneatom has changed
+
+  int create = 0;
+  if (ipage == NULL) create = 1;
+  if (pgsize != neighbor->pgsize) create = 1;
+  if (oneatom != neighbor->oneatom) create = 1;
+
+  if (create) {
+    delete [] ipage;
+    pgsize = neighbor->pgsize;
+    oneatom = neighbor->oneatom;
+
+    int nmypage= comm->nthreads;
+    ipage = new MyPage<int>[nmypage];
+    for (int i = 0; i < nmypage; i++)
+      ipage[i].init(oneatom,pgsize,PGDELTA);
+  }
+}
+
+
+/* ----------------------------------------------------------------------
+   create KC neighbor list from main neighbor list
+   KC neighbor list stores neighbors of ghost atoms
+   KC_numneigh for calcualting normals and
+   KC_pair_numneigh for calculating force
+------------------------------------------------------------------------- */
+
+void PairKolmogorovCrespiFull::KC_neigh()
+{
+  int i,j,ii,jj,n,allnum,jnum,itype,jtype;
+  double xtmp,ytmp,ztmp,delx,dely,delz,rsq;
+  int *ilist,*jlist,*numneigh,**firstneigh;
+  int *neighptr;
+
+  double **x = atom->x;
+  int *type = atom->type;
+
+  if (atom->nmax > maxlocal) {
+    maxlocal = atom->nmax;
+    memory->destroy(KC_numneigh);
+    memory->sfree(KC_firstneigh);
+    memory->create(KC_numneigh,maxlocal,"KolmogorovCrespiFull:numneigh");
+    KC_firstneigh = (int **) memory->smalloc(maxlocal*sizeof(int *),
+                                             "KolmogorovCrespiFull:firstneigh");
+  }
+
+  allnum = list->inum + list->gnum;
+  ilist = list->ilist;
+  numneigh = list->numneigh;
+  firstneigh = list->firstneigh;
+
+  // store all KC neighs of owned and ghost atoms
+  // scan full neighbor list of I
+
+  ipage->reset();
+
+  for (ii = 0; ii < allnum; ii++) {
+    i = ilist[ii];
+
+    n = 0;
+    neighptr = ipage->vget();
+
+    xtmp = x[i][0];
+    ytmp = x[i][1];
+    ztmp = x[i][2];
+    itype = map[type[i]];
+    jlist = firstneigh[i];
+    jnum = numneigh[i];
+
+    for (jj = 0; jj < jnum; jj++) {
+      j = jlist[jj];
+      j &= NEIGHMASK;
+      jtype = map[type[j]];
+      delx = xtmp - x[j][0];
+      dely = ytmp - x[j][1];
+      delz = ztmp - x[j][2];
+      rsq = delx*delx + dely*dely + delz*delz;
+
+      if (rsq != 0 && rsq < cutKCsq[itype][jtype] && atom->molecule[i] == atom->molecule[j]) {
+        neighptr[n++] = j;
+      }
+    }
+
+    KC_firstneigh[i] = neighptr;
+    KC_numneigh[i] = n;
+    ipage->vgot(n);
+    if (ipage->status())
+      error->one(FLERR,"Neighbor list overflow, boost neigh_modify one");
+  }
+}
+
+
+/* ----------------------------------------------------------------------
+   allocate all arrays
+------------------------------------------------------------------------- */
+
+void PairKolmogorovCrespiFull::allocate()
+{
+  allocated = 1;
+  int n = atom->ntypes;
+
+  memory->create(setflag,n+1,n+1,"pair:setflag");
+  for (int i = 1; i <= n; i++)
+    for (int j = i; j <= n; j++)
+      setflag[i][j] = 0;
+
+  memory->create(cutsq,n+1,n+1,"pair:cutsq");
+  memory->create(cut,n+1,n+1,"pair:cut");
+  memory->create(offset,n+1,n+1,"pair:offset");
+  map = new int[atom->ntypes+1];
+}
+
+/* ----------------------------------------------------------------------
+   global settings
+------------------------------------------------------------------------- */
+
+void PairKolmogorovCrespiFull::settings(int narg, char **arg)
+{
+  if (narg < 1 || narg > 2) error->all(FLERR,"Illegal pair_style command");
+  if (strcmp(force->pair_style,"hybrid/overlay")!=0)
+    error->all(FLERR,"ERROR: requires hybrid/overlay pair_style");
+
+  cut_global = force->numeric(FLERR,arg[0]);
+  if (narg == 2) tap_flag = force->numeric(FLERR,arg[1]);
+
+  // reset cutoffs that have been explicitly set
+
+  if (allocated) {
+    int i,j;
+    for (i = 1; i <= atom->ntypes; i++)
+      for (j = i; j <= atom->ntypes; j++)
+        if (setflag[i][j]) cut[i][j] = cut_global;
+  }
+}
+
+/* ----------------------------------------------------------------------
+   set coeffs for one or more type pairs
+------------------------------------------------------------------------- */
+
+void PairKolmogorovCrespiFull::coeff(int narg, char **arg)
+{
+  int i,j,n;
+
+  if (narg != 3 + atom->ntypes)
+    error->all(FLERR,"Incorrect args for pair coefficients");
+  if (!allocated) allocate();
+
+  int ilo,ihi,jlo,jhi;
+  force->bounds(FLERR,arg[0],atom->ntypes,ilo,ihi);
+  force->bounds(FLERR,arg[1],atom->ntypes,jlo,jhi);
+
+  // read args that map atom types to elements in potential file
+  // map[i] = which element the Ith atom type is, -1 if NULL
+  // nelements = # of unique elements
+  // elements = list of element names
+
+  if (elements) {
+    for (i = 0; i < nelements; i++) delete [] elements[i];
+    delete [] elements;
+  }
+  elements = new char*[atom->ntypes];
+  for (i = 0; i < atom->ntypes; i++) elements[i] = NULL;
+
+  nelements = 0;
+  for (i = 3; i < narg; i++) {
+    if (strcmp(arg[i],"NULL") == 0) {
+      map[i-2] = -1;
+      continue;
+    }
+    for (j = 0; j < nelements; j++)
+      if (strcmp(arg[i],elements[j]) == 0) break;
+    map[i-2] = j;
+    if (j == nelements) {
+      n = strlen(arg[i]) + 1;
+      elements[j] = new char[n];
+      strcpy(elements[j],arg[i]);
+      nelements++;
+    }
+  }
+
+
+  read_file(arg[2]);
+
+  double cut_one = cut_global;
+
+  int count = 0;
+  for (int i = ilo; i <= ihi; i++) {
+    for (int j = MAX(jlo,i); j <= jhi; j++) {
+      cut[i][j] = cut_one;
+      setflag[i][j] = 1;
+      count++;
+    }
+  }
+
+  if (count == 0) error->all(FLERR,"Incorrect args for pair coefficients");
+}
+
+
+/* ----------------------------------------------------------------------
+   init for one type pair i,j and corresponding j,i
+------------------------------------------------------------------------- */
+
+double PairKolmogorovCrespiFull::init_one(int i, int j)
+{
+  if (setflag[i][j] == 0) error->all(FLERR,"All pair coeffs are not set");
+
+  if (offset_flag && (cut[i][j] > 0.0)) {
+    int iparam_ij = elem2param[map[i]][map[j]];
+    Param& p = params[iparam_ij];
+    offset[i][j] = -p.A*pow(p.z0/cut[i][j],6);
+  } else offset[i][j] = 0.0;
+  offset[j][i] = offset[i][j];
+
+  return cut[i][j];
+}
+
+/* ----------------------------------------------------------------------
+   read Kolmogorov-Crespi potential file
+------------------------------------------------------------------------- */
+
+void PairKolmogorovCrespiFull::read_file(char *filename)
+{
+  int params_per_line = 12;
+  char **words = new char*[params_per_line+1];
+  memory->sfree(params);
+  params = NULL;
+  nparams = maxparam = 0;
+
+  // open file on proc 0
+
+  FILE *fp;
+  if (comm->me == 0) {
+    fp = force->open_potential(filename);
+    if (fp == NULL) {
+      char str[128];
+      sprintf(str,"Cannot open KC potential file %s",filename);
+      error->one(FLERR,str);
+    }
+  }
+
+  // read each line out of file, skipping blank lines or leading '#'
+  // store line of params if all 3 element tags are in element list
+
+  int i,j,n,m,nwords,ielement,jelement;
+  char line[MAXLINE],*ptr;
+  int eof = 0;
+
+  while (1) {
+    if (comm->me == 0) {
+      ptr = fgets(line,MAXLINE,fp);
+      if (ptr == NULL) {
+        eof = 1;
+        fclose(fp);
+      } else n = strlen(line) + 1;
+    }
+    MPI_Bcast(&eof,1,MPI_INT,0,world);
+    if (eof) break;
+    MPI_Bcast(&n,1,MPI_INT,0,world);
+    MPI_Bcast(line,n,MPI_CHAR,0,world);
+
+    // strip comment, skip line if blank
+
+    if ((ptr = strchr(line,'#'))) *ptr = '\0';
+    nwords = atom->count_words(line);
+    if (nwords == 0) continue;
+
+    // concatenate additional lines until have params_per_line words
+
+    while (nwords < params_per_line) {
+      n = strlen(line);
+      if (comm->me == 0) {
+        ptr = fgets(&line[n],MAXLINE-n,fp);
+        if (ptr == NULL) {
+          eof = 1;
+          fclose(fp);
+        } else n = strlen(line) + 1;
+      }
+      MPI_Bcast(&eof,1,MPI_INT,0,world);
+      if (eof) break;
+      MPI_Bcast(&n,1,MPI_INT,0,world);
+      MPI_Bcast(line,n,MPI_CHAR,0,world);
+      if ((ptr = strchr(line,'#'))) *ptr = '\0';
+      nwords = atom->count_words(line);
+    }
+
+    if (nwords != params_per_line)
+      error->all(FLERR,"Insufficient format in KC potential file");
+
+    // words = ptrs to all words in line
+
+    nwords = 0;
+    words[nwords++] = strtok(line," \t\n\r\f");
+    while ((words[nwords++] = strtok(NULL," \t\n\r\f"))) continue;
+
+    // ielement,jelement = 1st args
+    // if these 2 args are in element list, then parse this line
+    // else skip to next line (continue)
+
+    for (ielement = 0; ielement < nelements; ielement++)
+      if (strcmp(words[0],elements[ielement]) == 0) break;
+    if (ielement == nelements) continue;
+    for (jelement = 0; jelement < nelements; jelement++)
+      if (strcmp(words[1],elements[jelement]) == 0) break;
+    if (jelement == nelements) continue;
+
+    // load up parameter settings and error check their values
+
+    if (nparams == maxparam) {
+      maxparam += DELTA;
+      params = (Param *) memory->srealloc(params,maxparam*sizeof(Param),
+                                          "pair:params");
+    }
+
+    params[nparams].ielement = ielement;
+    params[nparams].jelement = jelement;
+    params[nparams].z0       = atof(words[2]);
+    params[nparams].C0       = atof(words[3]);
+    params[nparams].C2       = atof(words[4]);
+    params[nparams].C4       = atof(words[5]);
+    params[nparams].C        = atof(words[6]);
+    params[nparams].delta    = atof(words[7]);
+    params[nparams].lambda   = atof(words[8]);
+    params[nparams].A        = atof(words[9]);
+    // S provides a convenient scaling of all energies
+    params[nparams].S        = atof(words[10]);
+    params[nparams].rcut     = atof(words[11]);
+
+    // energies in meV further scaled by S
+    double meV = 1.0e-3*params[nparams].S;
+    params[nparams].C *= meV;
+    params[nparams].A *= meV;
+    params[nparams].C0 *= meV;
+    params[nparams].C2 *= meV;
+    params[nparams].C4 *= meV;
+
+    // precompute some quantities
+    params[nparams].delta2inv = pow(params[nparams].delta,-2);
+    params[nparams].z06 = pow(params[nparams].z0,6);
+
+    nparams++;
+    //if(nparams >= pow(atom->ntypes,3)) break;
+  }
+  memory->destroy(elem2param);
+  memory->destroy(cutKCsq);
+  memory->create(elem2param,nelements,nelements,"pair:elem2param");
+  memory->create(cutKCsq,nelements,nelements,"pair:cutKCsq");
+  for (i = 0; i < nelements; i++) {
+    for (j = 0; j < nelements; j++) {
+      n = -1;
+      for (m = 0; m < nparams; m++) {
+        if (i == params[m].ielement && j == params[m].jelement) {
+          if (n >= 0) error->all(FLERR,"Potential file has duplicate entry");
+          n = m;
+        }
+      }
+      if (n < 0) error->all(FLERR,"Potential file is missing an entry");
+      elem2param[i][j] = n;
+      cutKCsq[i][j] = params[n].rcut*params[n].rcut;
+    }
+  }
+  delete [] words;
+}
+
+/* ---------------------------------------------------------------------- */
+
+double PairKolmogorovCrespiFull::single(int i, int j, int itype, int jtype, double rsq,
+                         double factor_coul, double factor_lj,
+                         double &fforce)
+{
+  double r,r2inv,r6inv,r8inv,forcelj,philj;
+  double Tap,dTap,Vkc,fpair;
+
+  int iparam_ij = elem2param[map[itype]][map[jtype]];
+  Param& p = params[iparam_ij];
+
+  r = sqrt(rsq);
+  // turn on/off taper function
+  if (tap_flag) {
+    Tap = calc_Tap(r,sqrt(cutsq[itype][jtype]));
+    dTap = calc_dTap(r,sqrt(cutsq[itype][jtype]));
+  } else {Tap = 1.0; dTap = 0.0;}
+
+  r2inv = 1.0/rsq;
+  r6inv = r2inv*r2inv*r2inv;
+  r8inv = r2inv*r6inv;
+
+  Vkc = -p.A*p.z06*r6inv;
+  // derivatives
+  fpair = -6.0*p.A*p.z06*r8inv;
+  forcelj = fpair;
+  fforce = factor_lj*(forcelj*Tap - Vkc*dTap/r);
+
+  if (tap_flag) philj = Vkc*Tap;
+  else philj = Vkc - offset[itype][jtype];
+  return factor_lj*philj;
+}
+
+/* ---------------------------------------------------------------------- */
+
+int PairKolmogorovCrespiFull::pack_forward_comm(int n, int *list, double *buf,
+                               int pbc_flag, int *pbc)
+{
+  int i,j,m,l,ip,id;
+
+  m = 0;
+  for (i = 0; i < n; i++) {
+    j = list[i];
+    buf[m++] = normal[j][0];
+    buf[m++] = normal[j][1];
+    buf[m++] = normal[j][2];
+    buf[m++] = dnormdri[0][0][j];
+    buf[m++] = dnormdri[0][1][j];
+    buf[m++] = dnormdri[0][2][j];
+    buf[m++] = dnormdri[1][0][j];
+    buf[m++] = dnormdri[1][1][j];
+    buf[m++] = dnormdri[1][2][j];
+    buf[m++] = dnormdri[2][0][j];
+    buf[m++] = dnormdri[2][1][j];
+    buf[m++] = dnormdri[2][2][j];
+    for (l = 0; l < 3; l++){
+      for (id = 0; id < 3; id++){
+        for (ip = 0; ip < 3; ip++){
+	  buf[m++] = dnormal[id][ip][l][j];
+        }
+      }
+    }
+  }
+  return m;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void PairKolmogorovCrespiFull::unpack_forward_comm(int n, int first, double *buf)
+{
+  int i,m,last,l,ip,id;
+
+  m = 0;
+  last = first + n;
+  for (i = first; i < last; i++) {
+    normal[i][0] = buf[m++];
+    normal[i][1] = buf[m++];
+    normal[i][2] = buf[m++];
+    dnormdri[0][0][i] = buf[m++];
+    dnormdri[0][1][i] = buf[m++];
+    dnormdri[0][2][i] = buf[m++];
+    dnormdri[1][0][i] = buf[m++];
+    dnormdri[1][1][i] = buf[m++];
+    dnormdri[1][2][i] = buf[m++];
+    dnormdri[2][0][i] = buf[m++];
+    dnormdri[2][1][i] = buf[m++];
+    dnormdri[2][2][i] = buf[m++];
+    for (l = 0; l < 3; l++){
+      for (id = 0; id < 3; id++){
+        for (ip = 0; ip < 3; ip++){
+	  dnormal[id][ip][l][i] = buf[m++];
+        }
+      }
+    }
+  }
+}
+
+/* ---------------------------------------------------------------------- */
diff --git a/src/USER-MISC/pair_kolmogorov_crespi_full.h b/src/USER-MISC/pair_kolmogorov_crespi_full.h
index 74ba3c4bc8..3078a7601a 100644
--- a/src/USER-MISC/pair_kolmogorov_crespi_full.h
+++ b/src/USER-MISC/pair_kolmogorov_crespi_full.h
@@ -1,147 +1,147 @@
-/* ----------------------------------------------------------------------
-   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
-   http://lammps.sandia.gov, Sandia National Laboratories
-   Steve Plimpton, sjplimp@sandia.gov
-
-   Copyright (2003) Sandia Corporation.  Under the terms of Contract
-   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
-   certain rights in this software.  This software is distributed under
-   the GNU General Public License.
-
-   See the README file in the top-level LAMMPS directory.
-------------------------------------------------------------------------- */
-
-#ifdef PAIR_CLASS
-
-PairStyle(kolmogorov/crespi/full,PairKolmogorovCrespiFull)
-
-#else
-
-#ifndef LMP_PAIR_KolmogorovCrespi_FULL_H
-#define LMP_PAIR_KolmogorovCrespi_FULL_H
-
-#include "pair.h"
-#include "my_page.h"
-#include <math.h>
-
-namespace LAMMPS_NS {
-
-class PairKolmogorovCrespiFull : public Pair {
- public:
-  PairKolmogorovCrespiFull(class LAMMPS *);
-  virtual ~PairKolmogorovCrespiFull();
-
-  virtual void compute(int, int);
-  void settings(int, char **);
-  void coeff(int, char **);
-  double init_one(int, int);
-  void init_style();
-  void calc_normal();
-  int pack_forward_comm(int, int *, double *, int, int *);
-  void unpack_forward_comm(int, int, double *);
-  double single(int, int, int, int, double, double, double, double &);
-
- protected:
-  int me;
-  int maxlocal;                    // size of numneigh, firstneigh arrays
-  int pgsize;                      // size of neighbor page
-  int oneatom;                     // max # of neighbors for one atom
-  MyPage<int> *ipage;              // neighbor list pages
-  int *KC_numneigh;                // # of pair neighbors for each atom
-  int **KC_firstneigh;             // ptr to 1st neighbor of each atom
-  int tap_flag;			   // flag to turn on/off Tapper function
-
-
-  struct Param {
-    double z0,C0,C2,C4,C,delta,lambda,A,S;
-    double delta2inv,z06,rcut;
-    int ielement,jelement;
-  };
-  Param *params;       // parameter set for I-J interactions
-  char **elements;     // names of unique elements
-  int **elem2param;    // mapping from element pairs to parameters
-  int *map;            // mapping from atom types to elements
-  int nelements;       // # of unique elements
-  int nparams;         // # of stored parameter sets
-  int maxparam;        // max # of parameter sets
-  int nmax;            // max # of atoms
-
-  double cut_global;
-  double cut_normal;
-  double **cut;
-  double **cutKCsq;
-  double **offset;
-  double **normal;
-  double ***dnormdri;
-  double ****dnormal;
-  
-  void read_file( char * );
-  void allocate();
-  void KC_neigh();
-
-  
-  /* ----Calculate the long-range cutoff term */
-  inline double calc_Tap(double r_ij, double Rcut) {
-    double Tap,r;
-    double Tap_coeff[8] = {1.0,0.0,0.0,0.0,-35.0,84.0,-70.0,20.0};
-  
-    r = r_ij/Rcut; 
-    if(r >= 1.0) {Tap = 0.0;}
-    else{
-      Tap = Tap_coeff[7] * r + Tap_coeff[6];
-      Tap = Tap * r  + Tap_coeff[5];
-      Tap = Tap * r  + Tap_coeff[4];
-      Tap = Tap * r  + Tap_coeff[3];
-      Tap = Tap * r  + Tap_coeff[2];
-      Tap = Tap * r  + Tap_coeff[1];
-      Tap = Tap * r  + Tap_coeff[0];
-    }
-
-    return(Tap);
-  }
-
-  /* ----Calculate the derivatives of long-range cutoff term */
-  inline double calc_dTap(double r_ij, double Rcut) {
-    double dTap,r;
-    double Tap_coeff[8] = {1.0,0.0,0.0,0.0,-35.0,84.0,-70.0,20.0};
-
-    r = r_ij/Rcut; 
-    if(r >= 1.0) {dTap = 0.0;}
-    else {
-      dTap = 7.0*Tap_coeff[7] * r + 6.0*Tap_coeff[6];
-      dTap = dTap * r  + 5.0*Tap_coeff[5];
-      dTap = dTap * r  + 4.0*Tap_coeff[4];
-      dTap = dTap * r  + 3.0*Tap_coeff[3];
-      dTap = dTap * r  + 2.0*Tap_coeff[2];
-      dTap = dTap * r  + Tap_coeff[1];
-      dTap = dTap/Rcut;
-    }
-
-    return(dTap);
-  }
-};
-
-}
-
-#endif
-#endif
-
-/* ERROR/WARNING messages:
-
-E: Illegal ... command
-
-Self-explanatory.  Check the input script syntax and compare to the
-documentation for the command.  You can use -echo screen as a
-command-line option when running LAMMPS to see the offending line.
-
-E: Incorrect args for pair coefficients
-
-Self-explanatory.  Check the input script or data file.
-
-E: All pair coeffs are not set
-
-All pair coefficients must be set in the data file or by the
-pair_coeff command before running a simulation.
-
-*/
-
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifdef PAIR_CLASS
+
+PairStyle(kolmogorov/crespi/full,PairKolmogorovCrespiFull)
+
+#else
+
+#ifndef LMP_PAIR_KolmogorovCrespi_FULL_H
+#define LMP_PAIR_KolmogorovCrespi_FULL_H
+
+#include "pair.h"
+#include "my_page.h"
+#include <math.h>
+
+namespace LAMMPS_NS {
+
+class PairKolmogorovCrespiFull : public Pair {
+ public:
+  PairKolmogorovCrespiFull(class LAMMPS *);
+  virtual ~PairKolmogorovCrespiFull();
+
+  virtual void compute(int, int);
+  void settings(int, char **);
+  void coeff(int, char **);
+  double init_one(int, int);
+  void init_style();
+  void calc_normal();
+  int pack_forward_comm(int, int *, double *, int, int *);
+  void unpack_forward_comm(int, int, double *);
+  double single(int, int, int, int, double, double, double, double &);
+
+ protected:
+  int me;
+  int maxlocal;                    // size of numneigh, firstneigh arrays
+  int pgsize;                      // size of neighbor page
+  int oneatom;                     // max # of neighbors for one atom
+  MyPage<int> *ipage;              // neighbor list pages
+  int *KC_numneigh;                // # of pair neighbors for each atom
+  int **KC_firstneigh;             // ptr to 1st neighbor of each atom
+  int tap_flag;			   // flag to turn on/off taper function
+
+
+  struct Param {
+    double z0,C0,C2,C4,C,delta,lambda,A,S;
+    double delta2inv,z06,rcut;
+    int ielement,jelement;
+  };
+  Param *params;       // parameter set for I-J interactions
+  char **elements;     // names of unique elements
+  int **elem2param;    // mapping from element pairs to parameters
+  int *map;            // mapping from atom types to elements
+  int nelements;       // # of unique elements
+  int nparams;         // # of stored parameter sets
+  int maxparam;        // max # of parameter sets
+  int nmax;            // max # of atoms
+
+  double cut_global;
+  double cut_normal;
+  double **cut;
+  double **cutKCsq;
+  double **offset;
+  double **normal;
+  double ***dnormdri;
+  double ****dnormal;
+
+  void read_file( char * );
+  void allocate();
+  void KC_neigh();
+
+
+  /* ----Calculate the long-range cutoff term */
+  inline double calc_Tap(double r_ij, double Rcut) {
+    double Tap,r;
+    double Tap_coeff[8] = {1.0,0.0,0.0,0.0,-35.0,84.0,-70.0,20.0};
+
+    r = r_ij/Rcut;
+    if(r >= 1.0) {Tap = 0.0;}
+    else{
+      Tap = Tap_coeff[7] * r + Tap_coeff[6];
+      Tap = Tap * r  + Tap_coeff[5];
+      Tap = Tap * r  + Tap_coeff[4];
+      Tap = Tap * r  + Tap_coeff[3];
+      Tap = Tap * r  + Tap_coeff[2];
+      Tap = Tap * r  + Tap_coeff[1];
+      Tap = Tap * r  + Tap_coeff[0];
+    }
+
+    return(Tap);
+  }
+
+  /* ----Calculate the derivatives of long-range cutoff term */
+  inline double calc_dTap(double r_ij, double Rcut) {
+    double dTap,r;
+    double Tap_coeff[8] = {1.0,0.0,0.0,0.0,-35.0,84.0,-70.0,20.0};
+
+    r = r_ij/Rcut;
+    if(r >= 1.0) {dTap = 0.0;}
+    else {
+      dTap = 7.0*Tap_coeff[7] * r + 6.0*Tap_coeff[6];
+      dTap = dTap * r  + 5.0*Tap_coeff[5];
+      dTap = dTap * r  + 4.0*Tap_coeff[4];
+      dTap = dTap * r  + 3.0*Tap_coeff[3];
+      dTap = dTap * r  + 2.0*Tap_coeff[2];
+      dTap = dTap * r  + Tap_coeff[1];
+      dTap = dTap/Rcut;
+    }
+
+    return(dTap);
+  }
+};
+
+}
+
+#endif
+#endif
+
+/* ERROR/WARNING messages:
+
+E: Illegal ... command
+
+Self-explanatory.  Check the input script syntax and compare to the
+documentation for the command.  You can use -echo screen as a
+command-line option when running LAMMPS to see the offending line.
+
+E: Incorrect args for pair coefficients
+
+Self-explanatory.  Check the input script or data file.
+
+E: All pair coeffs are not set
+
+All pair coefficients must be set in the data file or by the
+pair_coeff command before running a simulation.
+
+*/
+
-- 
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