Commits · 51decfcf85171564cee8eb8fc82695cb74ce5e6e · 郑智淋 / lammps · GitLab

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Aug 08, 2020
- add test for pair style meam/spline · 51decfcf
  Axel Kohlmeyer authored Aug 07, 2020
  
  51decfcf
- atom type to element mapping is not done correctly. for now require exactly... · 04cc5df2
  Axel Kohlmeyer authored Aug 07, 2020
  04cc5df2
- add test for pair style yukawa/colloid · 1c33bff5
  Axel Kohlmeyer authored Aug 07, 2020
  
  1c33bff5
- update colloid test template so it can handle different atom styles · efa8b348
  Axel Kohlmeyer authored Aug 07, 2020
  
  efa8b348
Aug 07, 2020
- add triclinic support to ewald/omp · 15e969ca
  Axel Kohlmeyer authored Aug 07, 2020
  
  15e969ca
- make space style msm an explicit dependency · 094f52c3
  Axel Kohlmeyer authored Aug 07, 2020
  
  094f52c3
- add tests for pair styles from USER-SDK · 7d9f6b0d
  Axel Kohlmeyer authored Aug 07, 2020
  
  7d9f6b0d
- add support enforce writing a data file with pair ij as required by sdk styles · a42365bf
  Axel Kohlmeyer authored Aug 07, 2020
  
  a42365bf
- make single function consistent with compute · 1d539ea7
  Axel Kohlmeyer authored Aug 07, 2020
  
  1d539ea7
- add tests for meam/c · c6d5715e
  Axel Kohlmeyer authored Aug 06, 2020
  
  c6d5715e
- Merge pull request #2279 from akohlmey/collected-small-changes · aa393f35
  Axel Kohlmeyer authored Aug 06, 2020
  aa393f35
- test pppm with triclinic cell · 522a7669
  Axel Kohlmeyer authored Aug 06, 2020
  
  522a7669
- update (some) kspace tests to run faster · b9141939
  Axel Kohlmeyer authored Aug 06, 2020
  
  b9141939
- add test for pair style python · cd310060
  Axel Kohlmeyer authored Aug 06, 2020
  
  cd310060
- add test for pair style tip4p/cut · ec0b3ae8
  Axel Kohlmeyer authored Aug 06, 2020
  
  ec0b3ae8
- add tests for buck/long/coul/long · e1219399
  Axel Kohlmeyer authored Aug 06, 2020
  
  e1219399
- fix bug in single function of buck/long/coul/long · fefed73c
  Axel Kohlmeyer authored Aug 06, 2020
  
  fefed73c
- more tests · ad71475e
  Axel Kohlmeyer authored Aug 06, 2020
  
  ad71475e
- add tabulation for long-range coulomb · dae97e11
  Axel Kohlmeyer authored Aug 06, 2020
  
  dae97e11
- inherited single function doesn't match, we need to set single_enable to 0 · 8826ea91
  Axel Kohlmeyer authored Aug 06, 2020
  
  8826ea91
- more tests for coreshell · 0d677321
  Axel Kohlmeyer authored Aug 06, 2020
  
  0d677321
- reformat pair_coeff section · ad948334
  Axel Kohlmeyer authored Aug 06, 2020
  
  ad948334
- restore printing alphabetically sorted lists of missing styles · e93e49a7
  Axel Kohlmeyer authored Aug 06, 2020
  
  e93e49a7
- add unittest for pppm/tip4p with kspace_modify diff ad and fix related bug in pppm/tip4p/omp · e7774548
  Axel Kohlmeyer authored Aug 06, 2020
  
  e7774548
Aug 06, 2020
- small tweak · 89694d3f
  Axel Kohlmeyer authored Aug 06, 2020
  
  89694d3f
- Merge branch 'master' into collected-small-changes · 15db052c
  Axel Kohlmeyer authored Aug 05, 2020
  
  15db052c
- Merge pull request #2273 from abhiShandy/pair-tests-aug4 · c3075250
  Axel Kohlmeyer authored Aug 05, 2020
  c3075250
- Merge pull request #1296 from Adrian-Diaz/multi-comm-tiled · 787d7d28
  Axel Kohlmeyer authored Aug 05, 2020
  787d7d28
- Merge pull request #2275 from stanmoore1/kk_hip · ae3df83e
  Axel Kohlmeyer authored Aug 05, 2020
  ae3df83e
- change atom style tests expand covered code paths: tiled vs. brick comm,... · 45824360
  Axel Kohlmeyer authored Aug 05, 2020
  45824360
- remove references to non-existent MPI_Statuses · 5f83edd1
  Steve Plimpton authored Aug 05, 2020
  
  5f83edd1
- use bbox keyword on some replicate commands to increase code coverage · ac08bcad
  Axel Kohlmeyer authored Aug 05, 2020
  
  ac08bcad
- Merge pull request #2276 from rbberger/fmtlib-upgrade · 0e7c5a01
  Axel Kohlmeyer authored Aug 05, 2020
  0e7c5a01
- whitespace fixes · 65574be1
  Axel Kohlmeyer authored Aug 05, 2020
  
  65574be1
- a few bug fixes for support for multi and triclinic in CommTiled · 304d6876
  Steve Plimpton authored Aug 05, 2020
  
  304d6876
Aug 05, 2020
- Merge branch 'fix_typo_doc_dpd' of github.com:pdebuyl/lammps into collected-small-changes · 8f84b6cb
  Axel Kohlmeyer authored Aug 04, 2020
  
  8f84b6cb
- change fmtlib internal namespace from v7 to v7_lmp to avoid clashes when... · d53fc62f
  Axel Kohlmeyer authored Aug 04, 2020
  d53fc62f
- fix bug when applying floating point output formatting to integers · 8558e9bd
  Axel Kohlmeyer authored Aug 04, 2020
  
  8558e9bd
- silence compiler warning when converting MAXBIGINT to a double · 67a9856e
  Axel Kohlmeyer authored Aug 04, 2020
  
  67a9856e
- Add missing KOKKOS_INLINE_FUNCTION · ae765f9d
  Stan Moore authored Aug 04, 2020
  
  ae765f9d

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