Commits · 907b061e0b1086e84479622f267847fdb2a54319 · multiscale / lammps

Jun 26, 2018
- updata potential file CH.KC · b0126dd9
  oywg11 authored 6 years ago
  
  b0126dd9
- New paramteters for potential #839 · c9d147c3
  oywg11 authored 6 years ago
  
  c9d147c3
Jun 20, 2018
- remove entries that are not compatible with lgvdw yes and not included in the publication · 7d3a549d
  Axel Kohlmeyer authored 6 years ago
  
  closes #876
  7d3a549d
Mar 23, 2018
- refine the code and documentation · 78e09e18
  oywg11 authored 7 years ago
  
  78e09e18
Mar 13, 2018
- Finally updated the github tutorial · bbb2a6d6
  oywg11 authored 7 years ago
  
  bbb2a6d6
Jan 12, 2018
- Added more permanent citation · 17b6a4c3
  mkanski authored 7 years ago
  
  17b6a4c3
Jan 09, 2018
- Added example and tabulated close-range correction · e26c1706
  mkanski authored 7 years ago
  
  e26c1706
Jan 08, 2018
- Fixed header for the force field file · a5d401e1
  mkanski authored 7 years ago
  
  a5d401e1
- Fixed header for the force field file · b96100c0
  mkanski authored 7 years ago
  
  b96100c0
- Performance increase for charge-implicit ReaxFF/changed cutoff selection · 26900754
  mkanski authored 7 years ago
  
  26900754
Dec 05, 2017
- Remove outdated elastic constants · fc742eb2
  Jaap Kroes authored 7 years ago
  
  fc742eb2
Nov 28, 2017
- various small cosmetic adjustments to increase conformance with LAMMPS programming conventions · 56475229
  Axel Kohlmeyer authored 7 years ago
  
  56475229
Nov 27, 2017
- ExTeP potential file header update · 39d24ab7
  Jaap Kroes authored 7 years ago
  
  39d24ab7
- added ExTeP to USER-MISC · 5770a20e
  Jaap Kroes authored 7 years ago
  
  5770a20e
Sep 20, 2017
- whitespace cleanup · ad25a952
  Axel Kohlmeyer authored 7 years ago
  
  ad25a952
- convert DOS/Windows CR-LF line endings to native format · e7d042ba
  Axel Kohlmeyer authored 7 years ago
  
  e7d042ba
- new SNAP potentials and examples · dd49d548
  Steve Plimpton authored 7 years ago
  
  dd49d548
May 18, 2017
- update citations for multi-element edip potential · 4b1914aa
  Axel Kohlmeyer authored 7 years ago
  
  4b1914aa
May 16, 2017
- add contributed SiC.edip potential file · 8936b99e
  Axel Kohlmeyer authored 7 years ago
  
  8936b99e
May 15, 2017
- add gao-weber potentials (regular and with ZBL core) with SiC potential files · d9d4ef17
  Axel Kohlmeyer authored 7 years ago
  
  NOTE: documentation is missing
  d9d4ef17
Apr 28, 2017

Addition of potential, code modifications to incorporate multicomponent spline... · 7d9670bc

DallasTrinkle authored 7 years ago

Addition of potential, code modifications to incorporate multicomponent spline MEAM in pair_meam_spline.

Backwards compatible with previous version of pair_meam_spline.

7d9670bc

Mar 28, 2017
- remove executable permissions for potential files · ef6070cb
  Axel Kohlmeyer authored 8 years ago
  
  ef6070cb
Mar 07, 2017
- new neigh_modify exclude option, other SNAP changes · efaa4c67
  Steve Plimpton authored 8 years ago
  
  efaa4c67
Mar 01, 2017
- updated documentation and ev_tally · 8a0e44db
  Jaap Kroes authored 8 years ago
  
  8a0e44db
Feb 28, 2017
- Added Kolmogorov-Crespi potential · a1b40b90
  Jaap Kroes authored 8 years ago
  
  a1b40b90
Feb 24, 2017
- update AGNI potential for Al, reference runs and output and citation · a18b4ef4
  Axel Kohlmeyer authored 8 years ago
  
  a18b4ef4
Feb 21, 2017
- new SNAP potential for W · 1cd4c48c
  Steve Plimpton authored 8 years ago
  
  1cd4c48c
Feb 10, 2017
- added molecule option to compute group/group command · 0068ef56
  Steve Plimpton authored 8 years ago
  
  0068ef56
Jan 26, 2017
- sync GHub with SVN · f8506fee
  Steve Plimpton authored 8 years ago
  
  f8506fee
Nov 11, 2016
- add potential file for pair style AGNI · 6e1492a8
  Axel Kohlmeyer authored 8 years ago
  
  6e1492a8
Nov 09, 2016
- added missing potential for tersoff/mod/c · 3d3a99c0
  Axel Kohlmeyer authored 8 years ago
  
  3d3a99c0
Nov 04, 2016
- added examples/threebody, fix reaxc/speceies/kk · f48b71f4
  Steve Plimpton authored 8 years ago
  
  f48b71f4
Sep 30, 2016
- include charmm22 and charmm36 cmap files and include date added signature · 4337f2c2
  Axel Kohlmeyer authored 8 years ago
  
  4337f2c2
Jul 30, 2016

· 58be921a

sjplimp authored 8 years ago

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15402 f3b2605a-c512-4ea7-a41b-209d697bcdaa

58be921a

· 4eb6664b

sjplimp authored 8 years ago

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15400 f3b2605a-c512-4ea7-a41b-209d697bcdaa

4eb6664b

Mar 22, 2016

· a10c992e

sjplimp authored 9 years ago

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14764 f3b2605a-c512-4ea7-a41b-209d697bcdaa

a10c992e

Dec 09, 2015

· d43c4a1b

sjplimp authored 9 years ago

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14315 f3b2605a-c512-4ea7-a41b-209d697bcdaa

d43c4a1b

· 6f443bf1

sjplimp authored 9 years ago

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14314 f3b2605a-c512-4ea7-a41b-209d697bcdaa

6f443bf1

· 3d659aba

sjplimp authored 9 years ago

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14313 f3b2605a-c512-4ea7-a41b-209d697bcdaa

3d659aba

· bac5a15b

sjplimp authored 9 years ago

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14312 f3b2605a-c512-4ea7-a41b-209d697bcdaa

bac5a15b