Commits · 68d94f9b59f77395e49b0920b26c0bd9afd242aa · 郑智淋 / lammps · GitLab

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Aug 12, 2020
- 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
- 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
- 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
- must skip DeathTests if no data file loaded · 3993f539
  Axel Kohlmeyer authored Aug 10, 2020
  
  3993f539
- fix r-RESPA bug in storing global total force data · 67af8c00
  Axel Kohlmeyer authored Aug 10, 2020
  
  67af8c00
- 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
- enable testing with r-RESPA for real · b92eda8a
  Axel Kohlmeyer authored Aug 09, 2020
  
  b92eda8a
- add test for berendsen barostat · c3903efb
  Axel Kohlmeyer authored Aug 09, 2020
  
  c3903efb
- add support for testing virial contributions from fixes (as an option) · 4b7356f5
  Axel Kohlmeyer authored Aug 09, 2020
  
  4b7356f5
- document restart capability of fix temp/csld and fix temp/csvr · f1da1ed1
  Axel Kohlmeyer authored Aug 09, 2020
  
  f1da1ed1
- one more test variant for fix setforce · e51bec10
  Axel Kohlmeyer authored Aug 09, 2020
  
  e51bec10
- always call MPI_Finalize() before exiting tester program · 4708cd7e
  Axel Kohlmeyer authored Aug 09, 2020
  
  4708cd7e
- cleanup and bugfix · b223ca14
  Axel Kohlmeyer authored Aug 09, 2020
  
  b223ca14
- make certain that internal data in RanMars is initialized to avoid false positive with valgrind · 2fcd7b79
  Axel Kohlmeyer authored Aug 09, 2020
  
  2fcd7b79

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