Commits · ba793f2e56b42b89b6a3afe34a55a665cdd99896 · 郑智淋 / lammps · GitLab

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Aug 13, 2020
- add region tests and a few more death tests for lattice commands · ba793f2e
  Axel Kohlmeyer authored Aug 12, 2020
  
  ba793f2e
- more tests for lattice command failures · 6eb6ab30
  Axel Kohlmeyer authored Aug 12, 2020
  
  6eb6ab30
- complete lattice testers and start with regions+lattice+create_atoms · f8c7c131
  Axel Kohlmeyer authored Aug 12, 2020
  
  f8c7c131
- update custom lattice example for better syntax highlighting and remove unused lines · 33118491
  Axel Kohlmeyer authored Aug 12, 2020
  
  33118491
- add more lattices · 1cd2dfee
  Axel Kohlmeyer authored Aug 12, 2020
  
  1cd2dfee
- add check for compatible lattice command when calling create_atoms · 5c5774c8
  Axel Kohlmeyer authored Aug 12, 2020
  5c5774c8
- add tester tool for lattice and region commands · 7e558e46
  Axel Kohlmeyer authored Aug 12, 2020
  
  7e558e46
- more enumerator to class definition in header, so it can be accessed by tester · e2cedebd
  Axel Kohlmeyer authored Aug 12, 2020
  
  e2cedebd
Aug 12, 2020
- Merge pull request #1865 from danicholson/bond-style-special · ac43f8f6
  Axel Kohlmeyer authored Aug 11, 2020
  ac43f8f6
- Merge pull request #2285 from twhitehead/comm-for-fix-destructors · 3593d371
  Axel Kohlmeyer authored Aug 11, 2020
  3593d371
- Merge pull request #2283 from abhiShandy/soft-test · 15cd007d
  Axel Kohlmeyer authored Aug 11, 2020
  15cd007d
- make test for unsupported pair styles more restrictive and improve docs about that · 3cae295f
  Axel Kohlmeyer authored Aug 11, 2020
  3cae295f
- Merge branch 'master' into bond-style-special · 03ca86ee
  Axel Kohlmeyer authored Aug 11, 2020
  
  03ca86ee
- addressed incompatibility with long range coulombics · 46021a57
  David Nicholson authored Aug 11, 2020
  
  46021a57
Aug 11, 2020
- fixed test for tip4p_long_soft, and mentioned the required coefficients for coul/*/soft sub-styles · 5ee43467
  abhishandy authored Aug 10, 2020
  
  5ee43467
- using hybrid/overaly to add soft repulsion to purely coulombic pair-styles · 33c97618
  abhishandy authored Aug 10, 2020
  
  33c97618
- replace strstr with utils::strmatch · a7fee0a9
  abhishandy authored Aug 10, 2020
  
  a7fee0a9
- fixed bug in respa neighbor list · a83147ce
  abhishandy authored Aug 10, 2020
  
  a83147ce
- Move comm destruction to after modify to leave available for fixes · 13700905
  Tyson Whitehead authored Aug 10, 2020
  13700905
- Merge pull request #2281 from jtclemm/patch_fix_store · 6f1055a9
  Axel Kohlmeyer authored Aug 10, 2020
  6f1055a9
Aug 10, 2020
- revert permission change and replace 'b/c' with 'because' · e3beec8b
  Axel Kohlmeyer authored Aug 10, 2020
  
  e3beec8b
Aug 09, 2020
- added missing restart_settings() in morse/soft · 6cea5a9a
  abhishandy authored Aug 08, 2020
  
  6cea5a9a
- unit tests for /soft pair styles · 9bbd6099
  abhishandy authored Aug 08, 2020
  
  9bbd6099
Aug 08, 2020
- Replaced mistakenly dropped line · d0720794
  jtclemm authored Aug 08, 2020
  
  d0720794
- Added cautionary comments · 41904f79
  jtclemm authored Aug 08, 2020
  
  41904f79
- Merge pull request #2282 from akohlmey/more-unit-tests · 2775b937
  Axel Kohlmeyer authored Aug 07, 2020
  2775b937
- tweak epsilon · 54b93316
  Axel Kohlmeyer authored Aug 07, 2020
  
  54b93316
- set molecule ids for testing interlayer potentials · 7aae5ba5
  Axel Kohlmeyer authored Aug 07, 2020
  
  7aae5ba5
- avoid sqrt computation on cutoffs. make single functions consistent with compute · 17b74762
  Axel Kohlmeyer authored Aug 07, 2020
  
  17b74762
- add test for lj/smooth/linear and gaus/cut · 9f469623
  Axel Kohlmeyer authored Aug 07, 2020
  
  9f469623
- add tests for pair style coul/streitz · e169a5c7
  Axel Kohlmeyer authored Aug 07, 2020
  
  e169a5c7
- use open_potential in pair style coul/streitz · a17633bd
  Axel Kohlmeyer authored Aug 07, 2020
  
  a17633bd
- add tests for coul/shield, coul/slater/cut and coul/slater/long · c5cd1081
  Axel Kohlmeyer authored Aug 07, 2020
  
  c5cd1081
- fix restart bug in pair style coul/shield · 2ffa7430
  Axel Kohlmeyer authored Aug 07, 2020
  
  2ffa7430
- add test for pair style coul/diel · 7d26fbc6
  Axel Kohlmeyer authored Aug 07, 2020
  
  7d26fbc6
- fix bug in reading binary restarts for pair style coul/diel · e217635e
  Axel Kohlmeyer authored Aug 07, 2020
  
  e217635e
- add test for pair style edip/multi · 0537cc72
  Axel Kohlmeyer authored Aug 07, 2020
  
  0537cc72
- add test for pair style edip · ec0c3d60
  Axel Kohlmeyer authored Aug 07, 2020
  
  ec0c3d60
- fix indexing bug in pair style edip/omp · 4542a39f
  Axel Kohlmeyer authored Aug 07, 2020
  
  4542a39f
- add test for pair style meam/sw/spline · 8e0dccee
  Axel Kohlmeyer authored Aug 07, 2020
  
  8e0dccee

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