Commits · bbb4c396920141c93f62d81f881ad534dff734bf · 郑智淋 / lammps · GitLab

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Aug 02, 2020
- Merge branch 'wip-tests' into force-tests · bbb4c396
  Axel Kohlmeyer authored Aug 01, 2020
  
  bbb4c396
- correct data file output format for ZBL style. update reference output. · eb91c6fe
  Axel Kohlmeyer authored Aug 01, 2020
  
  eb91c6fe
- tweak parameters for lj/expand to stabilize test run · cc87557f
  Axel Kohlmeyer authored Aug 01, 2020
  
  cc87557f
- fix missing initialization bug in lj/cut/coul/wolf and update reference data · 6827eb80
  Axel Kohlmeyer authored Aug 01, 2020
  
  6827eb80
- tweak potential parameters for better stability of test run · a4db52c3
  Axel Kohlmeyer authored Aug 01, 2020
  
  a4db52c3
- need to explicitly clamp the forces and energy in single function to zero at... · 4c3dc956
  Axel Kohlmeyer authored Aug 01, 2020
  4c3dc956
- fix parameters initialization bug in pair style lj/cubic · 891be931
  Axel Kohlmeyer authored Aug 01, 2020
  
  891be931
Aug 01, 2020
- bugfix for pair style buck/coul/cut · 7158f471
  Axel Kohlmeyer authored Aug 01, 2020
  
  7158f471
- unit tests for few buck/coul and born/coul; remove mixing from buck · 34279840
  abhishandy authored Aug 01, 2020
  
  34279840
- fix the atomic numbers in ZBL test · d15db7b5
  abhishandy authored Aug 01, 2020
  
  d15db7b5
- unit tests for few LJ derivatives and ZBL · 86c53cb2
  abhishandy authored Aug 01, 2020
  
  86c53cb2
- unit tests for beck, morse, and few LJ derivatives · 2a487f5f
  abhishandy authored Aug 01, 2020
  
  2a487f5f
- Merge pull request #2266 from Vsevak/fix_opencl · 75dcd9ae
  Axel Kohlmeyer authored Jul 31, 2020
  75dcd9ae
- Merge pull request #2264 from akohlmey/fix_ttm_parser_update · 59b5c7c1
  Axel Kohlmeyer authored Jul 31, 2020
  59b5c7c1
- Merge pull request #2265 from abhiShandy/easy-pairs · b6b5d369
  Axel Kohlmeyer authored Jul 31, 2020
  b6b5d369
- Fix handling of CL_DEVICE_TYPE flags · db47eeb2
  Vsevak authored Jul 31, 2020
  
  db47eeb2
- diversify exponents in mie/cut test · 067540fe
  Axel Kohlmeyer authored Jul 31, 2020
  
  067540fe
- reformat pair_coeff section in buck test for better readability · 1017b76c
  Axel Kohlmeyer authored Jul 31, 2020
  
  1017b76c
Jul 31, 2020
- unit tests for born, buck, lj96 and mie cut · 12924346
  abhishandy authored Jul 31, 2020
  
  12924346
- Merge pull request #2263 from junghans/gitattributes · adde2439
  Axel Kohlmeyer authored Jul 31, 2020
  adde2439
- trim whitespace before parsing numbers · 1cf7a12a
  Axel Kohlmeyer authored Jul 30, 2020
  
  1cf7a12a
- fix argument index bug carried over from syncing with fix ttm · c3db11a8
  Axel Kohlmeyer authored Jul 30, 2020
  
  c3db11a8
- add utils::trim() function to remove leading and trailing whitespace from string · 4b91ab0d
  Axel Kohlmeyer authored Jul 30, 2020
  
  4b91ab0d
- Add .gitattributes · 3370d2f8
  Christoph Junghans authored Jul 30, 2020
  3370d2f8
Jul 30, 2020
- T_initial_set array is only required during reading of the mesh · 4a28a708
  Axel Kohlmeyer authored Jul 30, 2020
  
  4a28a708
- consistently check for presence of all input mesh data · 6a90a2af
  Axel Kohlmeyer authored Jul 29, 2020
  
  6a90a2af
- Merge pull request #2256 from akohlmey/cmake-use-alternate-linker · 7d46aa61
  Axel Kohlmeyer authored Jul 29, 2020
  7d46aa61
- remove local copy of "me" · c355348f
  Axel Kohlmeyer authored Jul 29, 2020
  
  c355348f
- Merge pull request #2259 from lammps/rcb-tiled-tri · df3d0466
  Axel Kohlmeyer authored Jul 29, 2020
  df3d0466
- Merge branch 'master' into rcb-tiled-tri · dd001e80
  Axel Kohlmeyer authored Jul 29, 2020
  
  dd001e80
- Merge pull request #1426 from Adrian-Diaz/comm_tiled_sendself_fix · b00bfc82
  Axel Kohlmeyer authored Jul 29, 2020
  b00bfc82
- Merge branch 'master' into comm_tiled_sendself_fix · b402b008
  Axel Kohlmeyer authored Jul 29, 2020
  
  b402b008
- document custom linker choice · 2fa642d9
  Axel Kohlmeyer authored Jul 29, 2020
  
  2fa642d9
- displace target link options (if supported by CMake version) · d0b6ce82
  Axel Kohlmeyer authored Jul 29, 2020
  
  d0b6ce82
- convert linker choice to (advanced) choice. only for Clang and GNU at the moment · 1f1767f5
  Axel Kohlmeyer authored Jul 29, 2020
  
  1f1767f5
- Merge pull request #2258 from akohlmey/phana-update · 2923dcbb
  Axel Kohlmeyer authored Jul 29, 2020
  2923dcbb
- Add comment explaining the change · 59ff6b7a
  Adrian-Diaz authored Jul 29, 2020
  
  59ff6b7a
- enable CommStyle tiled and load-balancing to work for triclinic · cb98fa00
  Steve Plimpton authored Jul 29, 2020
  
  cb98fa00
Jul 29, 2020
- fix typo an reorder · 4d9781f9
  Axel Kohlmeyer authored Jul 29, 2020
  
  4d9781f9
- update phana tool for USER-PHONON from github · 7df8a630
  Axel Kohlmeyer authored Jul 29, 2020
  
  7df8a630

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