Commits · f4a79b4d8ef7fef5b4973c0910d07d215ca0fc83 · multiscale / lammps

Feb 02, 2018
- Merge pull request #794 from akohlmey/tersoff-fixes · f4a79b4d
  Steve Plimpton authored 7 years ago
  
  Consistent checking of Tersoff potential parameters
  Unverified
  
  f4a79b4d
- Merge pull request #792 from pastewka/18_dump_nc1 · 7441b062
  Steve Plimpton authored 7 years ago
  
  Dumping to multiple files failed with an error message complaining about a missing 'append yes' option.
  Unverified
  
  7441b062
- Merge pull request #791 from akohlmey/charmm-cmap-docs-reference · 10d80ba9
  Steve Plimpton authored 7 years ago
  
  Update CMAP related docs and rebuild example input decks
  Unverified
  
  10d80ba9
- Merge pull request #787 from akohlmey/user-atc-dep · 53830358
  Steve Plimpton authored 7 years ago
  
  Make the USER-ATC package depend on MANYBODY
  Unverified
  
  53830358
- Merge pull request #785 from jrgissing/imp_dihed_print · dc4dd159
  Steve Plimpton authored 7 years ago
  
  modifications to correctly print modified dihedrals, impropers
  Unverified
  
  dc4dd159
- Merge pull request #783 from numericalfreedom/lammps-doxygen · e4a1826d
  Steve Plimpton authored 7 years ago
  
  Added double quotes to a word in Section_tools.txt file
  Unverified
  
  e4a1826d
- Merge pull request #782 from hheenen/user-mofff-contribution · 160edc95
  Steve Plimpton authored 7 years ago
  
  User mofff contribution
  Unverified
  
  160edc95
- Merge pull request #778 from athomps/fix_gcmc_segfault_fix · 553b3ff6
  Steve Plimpton authored 7 years ago
  
  Fixed recent segfault in fix gcmc and added mcmoves keyword
  Unverified
  
  553b3ff6
- Merge pull request #777 from lammps/fix_prop_atom · 2913d3da
  Steve Plimpton authored 7 years ago
  
  Fix bug in FixPropertyAtom
  Unverified
  
  2913d3da
- Merge pull request #710 from rpleite/add-pair-ufm · 4af14bec
  Steve Plimpton authored 7 years ago
  
  Add the UFM pair potential - (GPU/OPT/OMP)
  Unverified
  
  4af14bec
- make links to papers unique across files · 85fdf9ea
  Axel Kohlmeyer authored 7 years ago
  
  85fdf9ea
- fully integrate ufm into documentation · 2ff278de
  Axel Kohlmeyer authored 7 years ago
  
  2ff278de
- add package file to .gitignore · bfcb71a8
  Axel Kohlmeyer authored 7 years ago
  
  bfcb71a8
Feb 01, 2018
- rename examples to match usual naming conventions and add reference output. · 3e0cb9b4
  Axel Kohlmeyer authored 7 years ago
  
  3e0cb9b4
- include added docpages in toctrees for sphinx · b70149e8
  Axel Kohlmeyer authored 7 years ago
  
  b70149e8
- correct incorrect reference · 080ce422
  Axel Kohlmeyer authored 7 years ago
  
  080ce422
- adapt to current manual conventions · cc54848f
  Axel Kohlmeyer authored 7 years ago
  
  cc54848f
- remove tab char · 090ce7ce
  Axel Kohlmeyer authored 7 years ago
  
  090ce7ce
Jan 30, 2018
- make checking for tersoff parameters consistent across all implementations · 17d98d09
  Axel Kohlmeyer authored 7 years ago
  
  17d98d09
Jan 28, 2018
- DOC: Added netcdf and netcdf/mpiio to dump style supporting atom attributes. · 9cf4ac8b
  Lars Pastewka authored 7 years ago
  
  9cf4ac8b
- BUG: Dumping to multiple files failed with an error message complaining about... · 4e4fd5f0
  Lars Pastewka authored 7 years ago
  
  BUG: Dumping to multiple files failed with an error message complaining about a missing 'append yes' option.
  4e4fd5f0
- ignore generated/copied files · 9fd1e479
  Axel Kohlmeyer authored 7 years ago
  
  9fd1e479
- recreate 1ac7 input deck with up to date tools and LAMMPS binary. · 67539778
  Axel Kohlmeyer authored 7 years ago
  
  67539778
- recreate 1gb1 input deck with CMAP included. · 031812b2
  Axel Kohlmeyer authored 7 years ago
  
  031812b2
- explain position of fix cmap command in input for data and restart files · cf8dae5e
  Axel Kohlmeyer authored 7 years ago
  
  cf8dae5e
- clarify ch2lmp commands purpose in tools section · ba68548e
  Axel Kohlmeyer authored 7 years ago
  
  ba68548e
Jan 23, 2018
- add a dependency on PairEAM/MANYBODY for installing USER-ATC · 448c9c8d
  Axel Kohlmeyer authored 7 years ago
  
  448c9c8d
- modifications to correctly print modified dihedrals, impropers · d2da49cd
  jrgissing authored 7 years ago
  
  d2da49cd
Jan 21, 2018
- Added double quotes to a word in Section_tools.txt file in order to activate · e72faf3d
  Dr. Nandor Tamaskovics authored 7 years ago
  
  Sphinx hyperlink.
  e72faf3d
- cmake: add USER-MOFFF · 3f967e3d
  Christoph Junghans authored 7 years ago
  
  Unverified
  
  3f967e3d
- added src/USER-MOFFF/README · 5212e957
  Hendrik Heenen authored 7 years ago
  
  5212e957
- Added MOF-FF src, doc and example files · f7e2bf23
  Hendrik Heenen authored 7 years ago
  
  f7e2bf23
Jan 17, 2018
- Fixed recent segfault in fix gcmc and added mcmoves keyword · 9bb7f1dd
  Aidan Thompson authored 7 years ago
  
  9bb7f1dd
- patch 17Jan18 · 5e9d257e
  Steven J Plimpton authored 7 years ago
  
  5e9d257e
- Fix bug in fix_property_atom · 415a55bc
  Stan Moore authored 7 years ago
  
  415a55bc
- Merge pull request #776 from numericalfreedom/lammps-tools-doxygen · e1e6825e
  Steve Plimpton authored 7 years ago
  
  Small character corrections to the file Developer.dox.lammps
  Unverified
  
  e1e6825e
- Merge pull request #775 from wmbrownIntel/user-intel-2018u1 · 88a2f9fc
  Steve Plimpton authored 7 years ago
  
  USER-INTEL: Adding compiler flag and small fix to tersoff/intel for 2…
  Unverified
  
  88a2f9fc
- Merge pull request #774 from lammps/neigh-tweak · 480d7dd6
  Steve Plimpton authored 7 years ago
  
  small changes to recent PR to standardize with other npair styles
  Unverified
  
  480d7dd6
- Small correction in image caption in Developer.dox.lammps · 9b129843
  Dr. Nandor Tamaskovics authored 7 years ago
  
  9b129843
- Small character corrections to the file Developer.dox.lammps · 8d29f642
  Dr. Nandor Tamaskovics authored 7 years ago
  
  8d29f642