Commits · 0d2a280397ab728f3c7502bb4b6ca5f3649212c7 · 郑智淋 / lammps · GitLab

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Aug 14, 2020
- silence compiler warnings · 0d2a2803
  Axel Kohlmeyer authored Aug 13, 2020
  
  0d2a2803
Aug 13, 2020
- Merge pull request #2287 from akohlmey/lattice-region-tester · 6d725c9b
  Axel Kohlmeyer authored Aug 13, 2020
  6d725c9b
- Merge pull request #2284 from akohlmey/fix-tester · 1c274773
  Axel Kohlmeyer authored Aug 13, 2020
  1c274773
- 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
- add missing word · adf8d638
  Axel Kohlmeyer authored Aug 11, 2020
  
  adf8d638
- add tests for addforce and aveforce fixes · 5050538d
  Axel Kohlmeyer authored Aug 11, 2020
  
  5050538d
- Merge branch 'collected-small-fixes' into fix-tester · 99604a61
  Axel Kohlmeyer authored Aug 11, 2020
  
  99604a61
- fix memory leaks in pair style meam/spline · 68d94f9b
  Axel Kohlmeyer authored Aug 11, 2020
  
  68d94f9b
- fix memory leak in pair style edip · dff8a50a
  Axel Kohlmeyer authored Aug 11, 2020
  
  dff8a50a
- remove unused variable · 4cfc920d
  Axel Kohlmeyer authored Aug 11, 2020
  
  4cfc920d
- fix restart issues in pair style lennard/mdf · 90acace1
  Axel Kohlmeyer authored Aug 11, 2020
  
  90acace1
- Merge branch 'master' into fix-tester · 51a7038d
  Axel Kohlmeyer authored Aug 11, 2020
  
  51a7038d
- Merge pull request #1865 from danicholson/bond-style-special · ac43f8f6
  Axel Kohlmeyer authored Aug 11, 2020
  ac43f8f6
- tweak precision for edip test · 11af732a
  Axel Kohlmeyer authored Aug 11, 2020
  
  11af732a
- 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
- use new dependency resolver in pip for the documentation build virtual environment · 265b7cf1
  Axel Kohlmeyer authored Aug 11, 2020
  
  265b7cf1
- 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
- add test for pair style extep · 65d9eef7
  Axel Kohlmeyer authored Aug 11, 2020
  
  65d9eef7
- add test for pair style morse/smooth/linear · 6b84cd1c
  Axel Kohlmeyer authored Aug 11, 2020
  
  6b84cd1c
- fix incorrect sign bug · f685a7cc
  Axel Kohlmeyer authored Aug 11, 2020
  
  f685a7cc
- fix initialization after restart bug · 8fb356d9
  Axel Kohlmeyer authored Aug 11, 2020
  
  8fb356d9
- add test for pair style e3b · 5c0ec78c
  Axel Kohlmeyer authored Aug 11, 2020
  
  5c0ec78c
- may test for atom types only after system is initialized · 0cb3163b
  Axel Kohlmeyer authored Aug 11, 2020
  
  0cb3163b
- add tests for lj/expand/coul/long · 172435b6
  Axel Kohlmeyer authored Aug 11, 2020
  
  172435b6
- fix bugs with single and r-RESPA · 7ff5a7fc
  Axel Kohlmeyer authored Aug 11, 2020
  
  7ff5a7fc
- simplify · f77b8018
  Axel Kohlmeyer authored Aug 11, 2020
  
  f77b8018
- fixed test for tip4p_long_soft, and mentioned the required coefficients for coul/*/soft sub-styles · 5ee43467
  abhishandy authored Aug 10, 2020
  
  5ee43467
- update tests for r-RESPA testing of fixes · b9ce53e0
  Axel Kohlmeyer authored Aug 10, 2020
  
  b9ce53e0
- update for handling r-RESPA properly · 70f37d66
  Axel Kohlmeyer authored Aug 10, 2020
  
  70f37d66
- using hybrid/overaly to add soft repulsion to purely coulombic pair-styles · 33c97618
  abhishandy authored Aug 10, 2020
  
  33c97618

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