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cfa97f5dfe38ef9094bbe89c0bf35fc362579ca2..442596dcf1737510a2dcebf63a82f23480ef54d9 100644 --- a/examples/USER/misc/mop/in.compute_stress_mop +++ b/examples/USER/misc/mop/in.compute_stress_mop @@ -1,30 +1,20 @@ variable T equal 0.8 variable p_solid equal 0.05 -lattice fcc 1.0 -region box block 0.0 6.0 0.0 6.0 -2.0 12.0 -create_box 2 box +read_data data.mop -mass * 1.0 pair_style lj/cut 2.5 pair_coeff * * 1.0 1.0 pair_coeff 1 2 0.5 1.0 pair_coeff 2 2 0.0 0.0 neigh_modify delay 0 -region solid_bottom block INF INF INF INF -1.1 0.1 -region liquid block INF INF INF INF 1.1 8.9 -region solid_up block INF INF INF INF 9.9 11.1 - -create_atoms 1 region liquid -delete_atoms porosity liquid 0.26 88765 -group liquid region liquid - -create_atoms 2 region solid_bottom -group solid_bottom region solid_bottom -create_atoms 2 region solid_up -group solid_up region solid_up -group solid union solid_bottom solid_up +group liquid type 1 +group solid type 2 +region bottom block INF INF INF INF INF 7.0 +group bottom region bottom +group solid_bottom intersect solid bottom +group solid_up subtract solid solid_bottom variable faSolid equal ${p_solid}*lx*ly/count(solid_up) fix piston_up solid_up aveforce NULL NULL -${faSolid} @@ -35,28 +25,16 @@ compute Tliq liquid temp fix nvtliq liquid nvt temp $T $T 0.5 fix_modify nvtliq temp Tliq -thermo 10000 +thermo 1000 thermo_modify flush yes temp Tliq -dump 1 all atom 10000 dump.lammpstrj - fix fxbal all balance 1000 1.05 shift z 10 1.05 -velocity liquid create $T 47298 dist gaussian rot yes -run 50000 -undump 1 -reset_timestep 0 - -compute bin_z liquid chunk/atom bin/1d z 0.0 0.1 units box - -compute liquidStress_ke liquid stress/atom NULL ke -compute liquidStress_vir liquid stress/atom NULL virial -fix profile_z liquid ave/chunk 10 1000 10000 bin_z density/number temp c_liquidStress_ke[1] c_liquidStress_ke[2] c_liquidStress_ke[3] c_liquidStress_ke[4] c_liquidStress_ke[5] c_liquidStress_ke[6] c_liquidStress_vir[1] c_liquidStress_vir[2] c_liquidStress_vir[3] c_liquidStress_vir[4] c_liquidStress_vir[5] c_liquidStress_vir[6] ave running overwrite file profile.z compute mopz0 all stress/mop z center kin conf -fix mopz0t all ave/time 10 1000 10000 c_mopz0[*] file mopz0.time +fix mopz0t all ave/time 1 1 1 c_mopz0[*] file mopz0.time compute moppz liquid stress/mop/profile z 0.0 0.1 kin conf -fix moppzt all ave/time 100 100 10000 c_moppz[*] ave running overwrite file moppz.time mode vector +fix moppzt all ave/time 1 1 1 c_moppz[*] ave running overwrite file moppz.time mode vector -run 40000 +run 0 diff --git a/examples/USER/misc/mop/log.5Sep18.compute_stress_mop.g++.1 b/examples/USER/misc/mop/log.5Sep18.compute_stress_mop.g++.1 new file mode 100644 index 0000000000000000000000000000000000000000..7b3f24cf3863ce026eb8949075e44523797db417 --- /dev/null +++ b/examples/USER/misc/mop/log.5Sep18.compute_stress_mop.g++.1 @@ -0,0 +1,111 @@ +LAMMPS (5 Sep 2018) +OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87) + using 1 OpenMP thread(s) per MPI task +variable T equal 0.8 +variable p_solid equal 0.05 + +read_data data.mop + orthogonal box = (0 0 -2) to (9.52441 9.52441 16) + 1 by 1 by 1 MPI processor grid + reading atoms ... + 1224 atoms + reading velocities ... + 1224 velocities + +pair_style lj/cut 2.5 +pair_coeff * * 1.0 1.0 +pair_coeff 1 2 0.5 1.0 +pair_coeff 2 2 0.0 0.0 +neigh_modify delay 0 + +group liquid type 1 +792 atoms in group liquid +group solid type 2 +432 atoms in group solid +region bottom block INF INF INF INF INF 7.0 +group bottom region bottom +630 atoms in group bottom +group solid_bottom intersect solid bottom +216 atoms in group solid_bottom +group solid_up subtract solid solid_bottom +216 atoms in group solid_up + +variable faSolid equal ${p_solid}*lx*ly/count(solid_up) +variable faSolid equal 0.05*lx*ly/count(solid_up) +fix piston_up solid_up aveforce NULL NULL -${faSolid} +fix piston_up solid_up aveforce NULL NULL -0.0209986841649146 +fix freeze_up solid_up setforce 0.0 0.0 NULL +fix freeze_bottom solid_bottom setforce 0.0 0.0 0.0 +fix nvesol solid nve +compute Tliq liquid temp +fix nvtliq liquid nvt temp $T $T 0.5 +fix nvtliq liquid nvt temp 0.8 $T 0.5 +fix nvtliq liquid nvt temp 0.8 0.8 0.5 +fix_modify nvtliq temp Tliq +WARNING: Temperature for fix modify is not for group all (src/fix_nh.cpp:1404) + +thermo 1000 +thermo_modify flush yes temp Tliq +WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:488) + +fix fxbal all balance 1000 1.05 shift z 10 1.05 + +compute mopz0 all stress/mop z center kin conf +fix mopz0t all ave/time 1 1 1 c_mopz0[*] file mopz0.time + +compute moppz liquid stress/mop/profile z 0.0 0.1 kin conf +fix moppzt all ave/time 1 1 1 c_moppz[*] ave running overwrite file moppz.time mode vector + +run 0 +Neighbor list info ... + update every 1 steps, delay 0 steps, check yes + max neighbors/atom: 2000, page size: 100000 + master list distance cutoff = 2.8 + ghost atom cutoff = 2.8 + binsize = 1.4, bins = 7 7 13 + 3 neighbor lists, perpetual/occasional/extra = 1 2 0 + (1) pair lj/cut, perpetual + attributes: half, newton on + pair build: half/bin/atomonly/newton + stencil: half/bin/3d/newton + bin: standard + (2) compute stress/mop, occasional, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (3) compute stress/mop/profile, occasional, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none +Per MPI rank memory allocation (min/avg/max) = 3.596 | 3.596 | 3.596 Mbytes +Step Temp E_pair E_mol TotEng Press Volume + 0 0.82011245 -3.0642111 0 -2.2692246 0.16906107 1632.8577 +Loop time of 1.19209e-06 on 1 procs for 0 steps with 1224 atoms + +167.8% CPU use with 1 MPI tasks x 1 OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 0 | 0 | 0 | 0.0 | 0.00 +Neigh | 0 | 0 | 0 | 0.0 | 0.00 +Comm | 0 | 0 | 0 | 0.0 | 0.00 +Output | 0 | 0 | 0 | 0.0 | 0.00 +Modify | 0 | 0 | 0 | 0.0 | 0.00 +Other | | 1.192e-06 | | |100.00 + +Nlocal: 1224 ave 1224 max 1224 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Nghost: 2975 ave 2975 max 2975 min +Histogram: 1 0 0 0 0 0 0 0 0 0 +Neighs: 40241 ave 40241 max 40241 min +Histogram: 1 0 0 0 0 0 0 0 0 0 + +Total # of neighbors = 40241 +Ave neighs/atom = 32.8766 +Neighbor list builds = 0 +Dangerous builds = 0 + +Total wall time: 0:00:00 diff --git a/examples/USER/misc/mop/log.5Sep18.compute_stress_mop.g++.4 b/examples/USER/misc/mop/log.5Sep18.compute_stress_mop.g++.4 new file mode 100644 index 0000000000000000000000000000000000000000..dd1dc0af0f551e19105bf88f427a5386c5e32505 --- /dev/null +++ b/examples/USER/misc/mop/log.5Sep18.compute_stress_mop.g++.4 @@ -0,0 +1,111 @@ +LAMMPS (5 Sep 2018) +OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:87) + using 1 OpenMP thread(s) per MPI task +variable T equal 0.8 +variable p_solid equal 0.05 + +read_data data.mop + orthogonal box = (0 0 -2) to (9.52441 9.52441 16) + 1 by 2 by 2 MPI processor grid + reading atoms ... + 1224 atoms + reading velocities ... + 1224 velocities + +pair_style lj/cut 2.5 +pair_coeff * * 1.0 1.0 +pair_coeff 1 2 0.5 1.0 +pair_coeff 2 2 0.0 0.0 +neigh_modify delay 0 + +group liquid type 1 +792 atoms in group liquid +group solid type 2 +432 atoms in group solid +region bottom block INF INF INF INF INF 7.0 +group bottom region bottom +630 atoms in group bottom +group solid_bottom intersect solid bottom +216 atoms in group solid_bottom +group solid_up subtract solid solid_bottom +216 atoms in group solid_up + +variable faSolid equal ${p_solid}*lx*ly/count(solid_up) +variable faSolid equal 0.05*lx*ly/count(solid_up) +fix piston_up solid_up aveforce NULL NULL -${faSolid} +fix piston_up solid_up aveforce NULL NULL -0.0209986841649146 +fix freeze_up solid_up setforce 0.0 0.0 NULL +fix freeze_bottom solid_bottom setforce 0.0 0.0 0.0 +fix nvesol solid nve +compute Tliq liquid temp +fix nvtliq liquid nvt temp $T $T 0.5 +fix nvtliq liquid nvt temp 0.8 $T 0.5 +fix nvtliq liquid nvt temp 0.8 0.8 0.5 +fix_modify nvtliq temp Tliq +WARNING: Temperature for fix modify is not for group all (src/fix_nh.cpp:1404) + +thermo 1000 +thermo_modify flush yes temp Tliq +WARNING: Temperature for thermo pressure is not for group all (src/thermo.cpp:488) + +fix fxbal all balance 1000 1.05 shift z 10 1.05 + +compute mopz0 all stress/mop z center kin conf +fix mopz0t all ave/time 1 1 1 c_mopz0[*] file mopz0.time + +compute moppz liquid stress/mop/profile z 0.0 0.1 kin conf +fix moppzt all ave/time 1 1 1 c_moppz[*] ave running overwrite file moppz.time mode vector + +run 0 +Neighbor list info ... + update every 1 steps, delay 0 steps, check yes + max neighbors/atom: 2000, page size: 100000 + master list distance cutoff = 2.8 + ghost atom cutoff = 2.8 + binsize = 1.4, bins = 7 7 13 + 3 neighbor lists, perpetual/occasional/extra = 1 2 0 + (1) pair lj/cut, perpetual + attributes: half, newton on + pair build: half/bin/atomonly/newton + stencil: half/bin/3d/newton + bin: standard + (2) compute stress/mop, occasional, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none + (3) compute stress/mop/profile, occasional, copy from (1) + attributes: half, newton on + pair build: copy + stencil: none + bin: none +Per MPI rank memory allocation (min/avg/max) = 3.509 | 3.51 | 3.511 Mbytes +Step Temp E_pair E_mol TotEng Press Volume + 0 0.82011245 -3.0642111 0 -2.2692246 0.16906107 1632.8577 +Loop time of 4.06504e-05 on 4 procs for 0 steps with 1224 atoms + +65.2% CPU use with 4 MPI tasks x 1 OpenMP threads + +MPI task timing breakdown: +Section | min time | avg time | max time |%varavg| %total +--------------------------------------------------------------- +Pair | 0 | 0 | 0 | 0.0 | 0.00 +Neigh | 0 | 0 | 0 | 0.0 | 0.00 +Comm | 0 | 0 | 0 | 0.0 | 0.00 +Output | 0 | 0 | 0 | 0.0 | 0.00 +Modify | 0 | 0 | 0 | 0.0 | 0.00 +Other | | 4.065e-05 | | |100.00 + +Nlocal: 306 ave 320 max 295 min +Histogram: 1 1 0 0 0 0 1 0 0 1 +Nghost: 1450.25 ave 1485 max 1422 min +Histogram: 2 0 0 0 0 0 0 1 0 1 +Neighs: 10060.2 ave 10866 max 9507 min +Histogram: 2 0 0 0 0 1 0 0 0 1 + +Total # of neighbors = 40241 +Ave neighs/atom = 32.8766 +Neighbor list builds = 0 +Dangerous builds = 0 + +Total wall time: 0:00:00 diff --git a/examples/USER/misc/mop/moppz.time.reference b/examples/USER/misc/mop/moppz.time.reference index f8d4b532ea814d7627ecee5d365098dd47fbd8f0..1550df422d80b540c58881a36ab4e93f9d560335 100644 --- a/examples/USER/misc/mop/moppz.time.reference +++ b/examples/USER/misc/mop/moppz.time.reference @@ -1,226 +1,185 @@ # Time-averaged data for fix moppzt # TimeStep Number-of-rows # Row c_moppz[1] c_moppz[2] c_moppz[3] c_moppz[4] c_moppz[5] c_moppz[6] c_moppz[7] -40000 222 -1 -3.1 0 0 0 0 0 0 -2 -3 0 0 0 0 0 0 -3 -2.9 0 0 0 0 0 0 -4 -2.8 0 0 0 0 0 0 -5 -2.7 0 0 0 0 0 0 -6 -2.6 0 0 0 0 0 0 -7 -2.5 0 0 0 0 0 0 -8 -2.4 0 0 0 0 0 0 -9 -2.3 0 0 0 0 0 0 -10 -2.2 0 0 0 0 0 0 -11 -2.1 0 0 0 0 0 0 -12 -2 0 0 0 0 0 0 -13 -1.9 0 0 0 0 0 0 -14 -1.8 0 0 0 0 0 0 -15 -1.7 0 0 0 0 0 0 -16 -1.6 0 0 0 0 0 0 -17 -1.5 0 0 0 3.64631e-06 1.00467e-05 -0.00413092 -18 -1.4 0 0 0 3.64631e-06 1.00467e-05 -0.00413092 -19 -1.3 0 0 0 3.64631e-06 1.00467e-05 -0.00413092 -20 -1.2 0 0 0 3.64631e-06 1.00467e-05 -0.00413092 -21 -1.1 0 0 0 3.64631e-06 1.00467e-05 -0.00413092 -22 -1 0 0 0 3.64631e-06 1.00467e-05 -0.00413092 -23 -0.9 0 0 0 3.64631e-06 1.00467e-05 -0.00413092 -24 -0.8 0 0 0 3.64631e-06 1.00467e-05 -0.00413092 -25 -0.7 0 0 0 2.27131e-05 -7.15899e-05 -0.291079 -26 -0.6 0 0 0 2.27131e-05 -7.15899e-05 -0.291079 -27 -0.5 0 0 0 2.27131e-05 -7.15899e-05 -0.291079 -28 -0.4 0 0 0 2.27131e-05 -7.15899e-05 -0.291079 -29 -0.3 0 0 0 2.27131e-05 -7.15899e-05 -0.291079 -30 -0.2 0 0 0 2.27131e-05 -7.15899e-05 -0.291079 -31 -0.1 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2.42101 -0.632816 -0.0669315 -0.85119 +81 6 0 0 0 -0.0559892 -0.0194478 -1.04541 +82 6.1 0 0 0 -0.339753 0.286693 -1.24366 +83 6.2 0 0 0 -0.376208 0.444053 -1.7662 +84 6.3 0 0 0 -0.718923 0.555398 -1.93862 +85 6.4 0 0 0 -1.10631 0.263525 -1.79723 +86 6.5 0 0 0 -0.217948 -0.0489491 -2.07833 +87 6.6 0 0 0 -0.376248 -0.0588682 -2.45322 +88 6.7 -2.12742 4.22609 2.36568 -0.236703 -0.279582 -1.56434 +89 6.8 0.869072 -0.141389 3.92123 0.0540986 -0.00271606 -0.930143 +90 6.9 0 0 0 1.08829 -1.11737 -0.808187 +91 7 1.62633 1.08234 0.844097 1.18575 -0.408792 -0.752394 +92 7.1 0 0 0 1.03324 -0.470631 -0.486767 +93 7.2 0 0 0 0.950164 -0.112451 -0.479409 +94 7.3 -2.66121 -0.326607 7.83093 0.359 -0.482493 0.154384 +95 7.4 0 0 0 0.359089 -1.12337 0.409711 +96 7.5 -1.88971 1.34806 3.56893 0.394677 -1.0109 0.548348 +97 7.6 -1.34494 -0.896214 2.06959 0.231398 -0.728529 0.313513 +98 7.7 0 0 0 0.415681 -0.45268 0.507181 +99 7.8 0 0 0 0.259423 -0.11638 0.464208 +100 7.9 -1.97572 -1.20836 3.95731 0.252257 -0.0845701 -0.249345 +101 8 0 0 0 0.0688154 0.290386 -0.462467 +102 8.1 0.25925 -0.458269 3.33086 0.360399 -0.0409494 -0.656911 +103 8.2 0 0 0 -0.0587033 0.347698 -0.340604 +104 8.3 0 0 0 -0.377192 0.153096 -0.914654 +105 8.4 0 0 0 -0.431553 0.274996 -0.946252 +106 8.5 0 0 0 -0.898366 0.146653 -1.36383 +107 8.6 0 0 0 -0.889593 0.385951 0.125116 +108 8.7 0 0 0 -0.0139171 -0.162302 -0.0287854 +109 8.8 0 0 0 -0.266284 -0.148945 0.393533 +110 8.9 0 0 0 -0.00920376 -0.0770818 0.334642 +111 9 0 0 0 -0.0949156 0.0113352 -0.0761263 +112 9.1 0 0 0 0.0688045 0.104558 -0.101891 +113 9.2 3.79773 0.0255401 3.75032 0.419832 0.295402 0.652533 +114 9.3 0 0 0 0.594267 0.70396 0.836434 +115 9.4 0 0 0 0.174722 1.00483 1.42787 +116 9.5 0 0 0 0.0626835 0.518952 0.269158 +117 9.6 0 0 0 -0.302859 -0.265212 -0.0145578 +118 9.7 0 0 0 -0.114026 -0.201336 -0.539522 +119 9.8 0 0 0 0.104008 -0.30236 -0.0789062 +120 9.9 0 0 0 -0.0482778 -0.553118 0.45214 +121 10 0 0 0 -0.0554938 -0.402692 0.141112 +122 10.1 0 0 0 0.174338 0.556958 -0.0922154 +123 10.2 0 0 0 -1.06045 0.541565 -0.0409312 +124 10.3 0 0 0 -1.20782 0.464574 -0.413871 +125 10.4 0 0 0 -0.891701 0.327653 -0.286438 +126 10.5 0 0 0 0.231227 -0.064277 -0.89684 +127 10.6 -1.27989 -4.87365 9.40433 0.211278 0.230826 -1.23536 +128 10.7 -2.1001 -0.417817 1.17745 0.425856 0.078728 -1.44229 +129 10.8 0 0 0 0.30965 0.450884 -1.74985 +130 10.9 0 0 0 0.36735 0.990032 -1.19971 +131 11 0.253834 -1.84303 3.91828 1.01826 0.0660896 -0.481086 +132 11.1 0 0 0 0.744006 0.0906555 -0.897417 +133 11.2 0 0 0 0.339073 0.361038 -0.545084 +134 11.3 -1.9974 -0.431998 3.46296 0.611295 0.17282 0.0341483 +135 11.4 0 0 0 -0.491432 -0.958871 1.28001 +136 11.5 0 0 0 0.0431048 -1.50924 1.24037 +137 11.6 0 0 0 -0.684419 -0.0163951 1.06179 +138 11.7 0 0 0 -0.425278 -0.127741 0.757298 +139 11.8 -2.09164 0.00894897 2.22812 -0.0955178 -0.310572 0.661289 +140 11.9 0 0 0 0.156959 -0.233409 0.802568 +141 12 0 0 0 -0.05541 -0.346448 0.541571 +142 12.1 0 0 0 0.706767 0.182767 0.25767 +143 12.2 0 0 0 0.4791 0.464612 -0.212887 +144 12.3 0 0 0 0.81454 0.440323 -0.461359 +145 12.4 0 0 0 -0.110025 0.200698 -0.996706 +146 12.5 0 0 0 -0.149791 0.165599 -1.02233 +147 12.6 0 0 0 -0.170933 0.0644682 -0.866174 +148 12.7 0 0 0 -0.122869 -0.0196287 -0.801348 +149 12.8 0 0 0 -0.0693832 -0.0673091 -0.382802 +150 12.9 0 0 0 -0.0693832 -0.0673091 -0.382802 +151 13 0 0 0 -0.0693832 -0.0673091 -0.382802 +152 13.1 0 0 0 -0.0693832 -0.0673091 -0.382802 +153 13.2 0 0 0 -0.0693832 -0.0673091 -0.382802 +154 13.3 0 0 0 -0.0693832 -0.0673091 -0.382802 +155 13.4 0 0 0 -0.0693832 -0.0673091 -0.382802 +156 13.5 0 0 0 -0.000502433 0.000137492 -0.227425 +157 13.6 0 0 0 -0.000502433 0.000137492 -0.227425 +158 13.7 0 0 0 -0.000502433 0.000137492 -0.227425 +159 13.8 0 0 0 -0.000502433 0.000137492 -0.227425 +160 13.9 0 0 0 -0.000502433 0.000137492 -0.227425 +161 14 0 0 0 -0.000502433 0.000137492 -0.227425 +162 14.1 0 0 0 -0.000502433 0.000137492 -0.227425 +163 14.2 0 0 0 -0.000502433 0.000137492 -0.227425 +164 14.3 0 0 0 5.79042e-05 4.68687e-05 -0.00286094 +165 14.4 0 0 0 5.79042e-05 4.68687e-05 -0.00286094 +166 14.5 0 0 0 5.79042e-05 4.68687e-05 -0.00286094 +167 14.6 0 0 0 5.79042e-05 4.68687e-05 -0.00286094 +168 14.7 0 0 0 5.79042e-05 4.68687e-05 -0.00286094 +169 14.8 0 0 0 5.79042e-05 4.68687e-05 -0.00286094 +170 14.9 0 0 0 5.79042e-05 4.68687e-05 -0.00286094 +171 15 0 0 0 5.79042e-05 4.68687e-05 -0.00286094 +172 15.1 0 0 0 0 0 0 +173 15.2 0 0 0 0 0 0 +174 15.3 0 0 0 0 0 0 +175 15.4 0 0 0 0 0 0 +176 15.5 0 0 0 0 0 0 +177 15.6 0 0 0 0 0 0 +178 15.7 0 0 0 0 0 0 +179 15.8 0 0 0 0 0 0 +180 15.9 0 0 0 0 0 0 +181 16 0 0 0 0 0 0 diff --git a/examples/USER/misc/mop/mopz0.time.reference b/examples/USER/misc/mop/mopz0.time.reference index 6341d2290689112e4fd3a52cfb94971267d41468..d6dbb2ff09a97938c1f4a85d8b550782e599a97a 100644 --- a/examples/USER/misc/mop/mopz0.time.reference +++ b/examples/USER/misc/mop/mopz0.time.reference @@ -1,6 +1,3 @@ # Time-averaged data for fix mopz0t # TimeStep c_mopz0[1] c_mopz0[2] c_mopz0[3] c_mopz0[4] c_mopz0[5] c_mopz0[6] -10000 -0.0267908 -0.0366912 0.634417 0.00702203 0.00200985 -0.552264 -20000 0.0202912 -0.0217482 0.597513 -0.00157669 -0.00587006 -0.537147 -30000 -0.00244239 -0.02829 0.616384 0.00640645 0.00932437 -0.561132 -40000 0.00541112 -0.0764546 0.613812 -0.00450554 -0.0038376 -0.537305 +0 1.62633 1.08234 0.844097 1.18575 -0.408792 -0.752394 diff --git a/examples/USER/misc/mop/profile.z.reference b/examples/USER/misc/mop/profile.z.reference deleted file mode 100644 index 1e0d1bf26b10bd0c08091cfbd89cbde7f8da2607..0000000000000000000000000000000000000000 --- a/examples/USER/misc/mop/profile.z.reference +++ /dev/null @@ -1,227 +0,0 @@ -# Chunk-averaged data for fix profile_z and group temp -# Timestep Number-of-chunks Total-count -# Chunk Coord1 Ncount density/number temp c_liquidStress_ke[1] c_liquidStress_ke[2] c_liquidStress_ke[3] c_liquidStress_ke[4] c_liquidStress_ke[5] c_liquidStress_ke[6] c_liquidStress_vir[1] c_liquidStress_vir[2] c_liquidStress_vir[3] c_liquidStress_vir[4] c_liquidStress_vir[5] c_liquidStress_vir[6] -40000 223 3292 - 1 -3.15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - 2 -3.05 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - 3 -2.95 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - 4 -2.85 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - 5 -2.75 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - 6 -2.65 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - 7 -2.55 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - 8 -2.45 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - 9 -2.35 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - 10 -2.25 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - 11 -2.15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - 12 -2.05 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - 13 -1.95 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - 14 -1.85 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - 15 -1.75 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - 16 -1.65 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - 17 -1.55 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - 18 -1.45 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - 19 -1.35 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - 20 -1.25 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - 21 -1.15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - 22 -1.05 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - 23 -0.95 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - 24 -0.85 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - 25 -0.75 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - 26 -0.65 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - 27 -0.55 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - 28 -0.45 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - 29 -0.35 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - 30 -0.25 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - 31 -0.15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - 32 -0.05 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - 33 0.05 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - 34 0.15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - 35 0.25 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - 36 0.35 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - 37 0.45 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 - 38 0.55 0.0155 0.00170866 0.77827 -0.823106 -0.662616 -0.84909 0.0895728 -0.0915996 -0.0170938 -9.39041 -10.0498 -10.5424 -0.265868 -0.0729269 -0.626454 - 39 0.65 0.65625 0.0723425 0.805015 -0.786824 -0.81346 -0.814762 0.0155975 0.0168616 -0.0213122 -2.89739 -2.89092 -5.81642 -0.0313195 0.230066 -0.0388364 - 40 0.75 4.18625 0.461476 0.79884 -0.814511 -0.792997 -0.789012 -0.00942159 0.00597072 -0.00127992 -0.0143748 -0.0512459 -2.64067 0.0488393 0.0797603 0.0243815 - 41 0.85 9.79625 1.0799 0.79714 -0.80439 -0.79918 -0.78785 -0.00331374 0.00487411 -0.00151215 1.12418 1.08693 -0.84425 -0.00560715 -0.00540606 0.0136964 - 42 0.95 11.8853 1.31018 0.796174 -0.794167 -0.80514 -0.789215 0.00723814 -0.00234092 0.00056184 1.42901 1.47052 0.953436 0.0152978 -0.00835816 -0.0143227 - 43 1.05 9.50925 1.04826 0.790145 -0.778307 -0.798065 -0.794064 -0.00458567 0.00288496 0.00383306 1.34248 1.35909 2.2058 -0.00480159 -0.00651465 0.0107925 - 44 1.15 6.62475 0.730287 0.792109 -0.78276 -0.792956 -0.80061 -0.000304313 0.00429876 -0.000168134 1.26277 1.22489 2.4073 -0.00702209 0.0123268 0.0158178 - 45 1.25 4.843 0.533874 0.782372 -0.788056 -0.769346 -0.789713 -0.00686069 0.00712471 0.00418369 1.11904 1.10737 2.14058 -0.0215052 -0.0228293 0.0027643 - 46 1.35 3.83075 0.422287 0.79523 -0.795215 -0.781756 -0.808717 0.00249536 0.00991401 0.00380274 0.82578 0.918645 1.46731 0.0226069 0.0224161 0.0177933 - 47 1.45 3.677 0.405338 0.795643 -0.800148 -0.796298 -0.790481 -0.00645737 0.00817994 0.00550917 0.759125 0.737731 0.94736 0.0047934 -0.0525048 0.0098318 - 48 1.55 4.02825 0.444059 0.7931 -0.809145 -0.767991 -0.802164 0.00796467 -0.00254477 -0.00515821 0.711573 0.700294 0.278708 -0.00223064 0.0425578 -0.0182506 - 49 1.65 5.21025 0.574358 0.786639 -0.782146 -0.790073 -0.787698 -0.00628926 0.0029031 -0.00469372 0.731644 0.711902 -0.4288 0.0255459 0.0230297 -0.0116029 - 50 1.75 7.042 0.776283 0.790913 -0.78969 -0.794201 -0.788849 0.00258833 -0.00622832 -0.00564932 0.890595 0.855746 -0.411099 -0.0301627 0.0064535 0.0103202 - 51 1.85 8.46525 0.933177 0.792581 -0.802268 -0.785881 -0.789593 -0.0101489 -0.00231339 -0.00725399 0.995328 0.96239 0.0331328 -0.0719804 -0.00124182 0.00072388 - 52 1.95 8.65475 0.954067 0.787864 -0.781802 -0.789244 -0.792545 0.00513504 0.00406419 -0.00879172 1.00435 0.961078 0.632404 -0.0517082 -0.0159131 0.00526744 - 53 2.05 7.8595 0.866401 0.786055 -0.770225 -0.794059 -0.79388 -0.00752288 0.00623117 -0.00420196 1.00125 0.93989 1.08666 -0.0435495 0.0161905 0.0286065 - 54 2.15 6.82475 0.752334 0.77991 -0.776702 -0.775219 -0.78781 0.00471997 0.00826834 0.00277604 0.85253 0.86241 1.24674 0.0246189 0.00530171 0.0353102 - 55 2.25 5.89225 0.649539 0.781394 -0.766258 -0.795723 -0.782202 -0.00469749 7.49004e-05 -0.00738222 0.761321 0.690047 1.13698 0.0102827 0.00209006 -0.0164468 - 56 2.35 5.42025 0.597508 0.785789 -0.774668 -0.790234 -0.792466 -0.00930276 0.00394548 -0.0106206 0.655063 0.695732 0.918347 -0.0225504 -0.0119507 0.0511995 - 57 2.45 5.34525 0.58924 0.797039 -0.787684 -0.791749 -0.811683 0.00599798 0.00191556 -0.00434674 0.694615 0.671933 0.640961 -0.00323138 0.0273467 -0.0105561 - 58 2.55 5.87275 0.64739 0.794482 -0.795196 -0.793495 -0.794755 -0.0158646 -0.00938029 -0.00871214 0.665991 0.601126 0.314868 -0.0128127 0.0289784 -0.0535967 - 59 2.65 6.54775 0.721799 0.793027 -0.795599 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0.000756771 0.00141041 0.739694 0.780476 0.565457 0.0106761 0.0169492 0.0029887 - 142 10.95 6.7635 0.745582 0.798061 -0.789976 -0.809984 -0.794224 0.00610151 -0.00222378 0.0067858 0.790524 0.81595 0.597829 -0.0170772 -0.0118633 -0.00667559 - 143 11.05 6.3715 0.70237 0.812611 -0.804489 -0.818657 -0.814685 -0.0111996 0.00212941 -0.0105114 0.79318 0.694842 0.430366 0.0162314 0.0306282 -0.0432507 - 144 11.15 5.99025 0.660342 0.810481 -0.804842 -0.802955 -0.823644 0.0136279 -0.00477508 -0.00804219 0.735454 0.788358 0.431007 -0.0429171 0.000235044 0.0207342 - 145 11.25 5.84825 0.644689 0.800577 -0.781391 -0.800625 -0.819715 0.0131729 0.00482168 0.00221727 0.739467 0.715937 0.679698 -0.0104751 -0.0177938 0.00468151 - 146 11.35 6.0255 0.664228 0.799503 -0.790112 -0.813938 -0.79446 0.00610092 -0.00356609 0.00528215 0.663651 0.637587 0.775373 -0.0220442 0.0110108 -0.0254637 - 147 11.45 6.4185 0.707551 0.800508 -0.790724 -0.818412 -0.792388 -0.00176802 -0.0100995 -0.000335942 0.737901 0.721074 1.00438 0.0121646 0.00623362 0.0474194 - 148 11.55 6.9715 0.768512 0.805139 -0.797432 -0.807462 -0.810523 -0.00796199 -0.00562452 0.0109241 0.863915 0.846335 1.03536 0.00595087 0.0354208 -0.0354538 - 149 11.65 7.39025 0.814673 0.800299 -0.790752 -0.800359 -0.809785 0.0077273 -0.00196671 0.0143455 0.981896 0.904562 0.815978 0.0281116 -0.0101508 -0.00830514 - 150 11.75 7.559 0.833275 0.804182 -0.797492 -0.821158 -0.793896 -0.00217041 -0.00332521 0.0148471 0.933679 0.943555 0.534203 -0.0199665 0.0151777 -0.0302653 - 151 11.85 7.1315 0.786149 0.799652 -0.787936 -0.802805 -0.808216 -1.44908e-06 -0.00827519 0.00814354 0.921138 0.86743 0.261532 -0.0419633 0.0566948 0.00841213 - 152 11.95 6.519 0.71863 0.78074 -0.763149 -0.783572 -0.795498 -0.00379871 -0.00342527 0.00752232 0.851756 0.804143 0.110285 0.0165043 0.00177522 0.0160939 - 153 12.05 5.634 0.621071 0.799883 -0.783563 -0.791871 -0.824217 -0.00679318 -0.00866834 0.0052431 0.805076 0.803557 0.0383568 -0.026581 -0.0194137 0.0178838 - 154 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