Commits · af91f7fa5d83ba40bd9b40f06cb37f190c7a6e4b · multiscale / lammps · GitLab

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Jun 21, 2018
- Added newsystem flag to be passed to latte · dc132c8b
  Christian F. A. Negre authored 6 years ago
  
  dc132c8b
Jun 19, 2018
- Added boxrel example and simplified latte.in · 37b901ea
  Christian F. A. Negre authored 6 years ago
  
  37b901ea
May 21, 2018
- update to c++ style include header syntax · 1f193e02
  Axel Kohlmeyer authored 6 years ago
  
  1f193e02
May 07, 2018
- update rigid body reference outputs. add bodyforces early examples · d2031182
  Axel Kohlmeyer authored 6 years ago
  
  d2031182
May 06, 2018
- update example log files · 9d9d7cb9
  Axel Kohlmeyer authored 6 years ago
  
  9d9d7cb9
- fix bond/react final touches · 916ed717
  jrgissing authored 6 years ago
  
  916ed717
May 05, 2018
- update USER-BOCS example to match LAMMPS style and include reference logs · f9f8e2bd
  Axel Kohlmeyer authored 6 years ago
  
  f9f8e2bd
- changes to integrate USER-BOCS into LAMMPS and to closer follow the LAMMPS... · 81293b0f
  Axel Kohlmeyer authored 6 years ago
  
  changes to integrate USER-BOCS into LAMMPS and to closer follow the LAMMPS programming/documentation style
  81293b0f
May 04, 2018
- update logfiles and adjust some example inputs to be consistent · c9d41178
  Axel Kohlmeyer authored 6 years ago
  
  c9d41178
May 03, 2018
- make filenames comply with LAMMPS conventions and add reference log files · 53cc609c
  Axel Kohlmeyer authored 6 years ago
  
  53cc609c
- update log files for SNAP package examples to reflect current state of keywords. · b5b70b42
  Axel Kohlmeyer authored 6 years ago
  
  b5b70b42
May 02, 2018
- Update methanol.lmp · ed3f8d4b
  Michael DeLyser authored 6 years ago
  
  ed3f8d4b
Apr 26, 2018
- USER-BOCS · c5e884fb
  MICHAEL ROBERT DELYSER authored 6 years ago
  
  c5e884fb
Apr 04, 2018
- update logfiles for gcmc example inputs · 4fa95de9
  Axel Kohlmeyer authored 6 years ago
  
  4fa95de9
- avoid warning about group all · 24e0ca53
  Axel Kohlmeyer authored 6 years ago
  
  24e0ca53
Apr 03, 2018
- Made ndof dynamic for temperature fixes and computes · d1356c1d
  Aidan Thompson authored 6 years ago
  
  d1356c1d
Mar 23, 2018
- minor cleanup in docs and updated log files for kolmogorov/crespi/full · 5a341bee
  Axel Kohlmeyer authored 7 years ago
  
  5a341bee
Mar 22, 2018
- update kolmogorov-crespi examples · c398eb6b
  Axel Kohlmeyer authored 7 years ago
  
  c398eb6b
- refactor code and examples to match LAMMPS conventions. whitespace cleanup. shorten examples. · 8de7c449
  Axel Kohlmeyer authored 7 years ago
  
  8de7c449
Mar 14, 2018
- Add more examples · 6415befb
  oywg11 authored 7 years ago
  
  6415befb
Mar 13, 2018
- Finally updated the github tutorial · bbb2a6d6
  oywg11 authored 7 years ago
  
  bbb2a6d6
Mar 08, 2018
- provide new reference outputs for various reaxff examples · fcfbdb13
  Axel Kohlmeyer authored 7 years ago
  
  fcfbdb13
Mar 04, 2018
- make fix bond/react example inputs more similar to other input examples in LAMMPS · 52446eed
  Axel Kohlmeyer authored 7 years ago
  
  52446eed
Feb 25, 2018
- gatherv fix, doc updates · 7d1de345
  jrgissing authored 7 years ago
  
  7d1de345
Feb 22, 2018
- re-add compressed data file (was hidden by .gitignore) · 3787b894
  Axel Kohlmeyer authored 7 years ago
  
  3787b894
Feb 21, 2018
- move fix bond/react examples and compress large data file · daae9061
  Axel Kohlmeyer authored 7 years ago
  
  daae9061
Feb 20, 2018
- 2nd try on LATTE error returns, plus a couple minor doc edits · c399b75d
  Steven J. Plimpton authored 7 years ago
  
  c399b75d
Feb 12, 2018
- add large nylon example for parallel validation, reformat doc page · a04a975d
  jrgissing authored 7 years ago
  
  a04a975d
Feb 09, 2018
- strip off unwanted ^M characters · a6eb5214
  Axel Kohlmeyer authored 7 years ago
  
  a6eb5214
Feb 08, 2018
- fix bond/react: generalized classical chemical reactions · 996c62f4
  jrgissing authored 7 years ago
  
  996c62f4
Feb 05, 2018
- Added warning to discourage use of group all and fixed some segfault cases · 1d403b2a
  Aidan Thompson authored 7 years ago
  
  1d403b2a
Feb 01, 2018
- rename examples to match usual naming conventions and add reference output. · 3e0cb9b4
  Axel Kohlmeyer authored 7 years ago
  
  3e0cb9b4
Jan 21, 2018
- Added MOF-FF src, doc and example files · f7e2bf23
  Hendrik Heenen authored 7 years ago
  
  f7e2bf23
Jan 16, 2018
- different bug fix for create_bonds, delete_atoms neigh list issue · 8d37c89c
  Steven J Plimpton authored 7 years ago
  
  8d37c89c
- update of COUPLE/simple examples · 21ff4407
  Steven J Plimpton authored 7 years ago
  
  21ff4407
- Add reax example · b3748131
  Stan Moore authored 7 years ago
  
  b3748131
Jan 09, 2018
- Added example and tabulated close-range correction · e26c1706
  mkanski authored 7 years ago
  
  e26c1706
Jan 06, 2018
- make python functions examples more complete by adding exception handling and... · 46217db8
  Axel Kohlmeyer authored 7 years ago
  
  make python functions examples more complete by adding exception handling and initializing variables
  46217db8
Dec 15, 2017
- Rename fix python to fix python/invoke · bcc5f49d
  Richard Berger authored 7 years ago
  
  bcc5f49d
- Clean up after renaming back to fix python/move · 950bfb84
  Richard Berger authored 7 years ago
  
  950bfb84