Commits · 1c5c2d8f22d80c059981ac0665379892fef9c470 · 郑智淋 / lammps · GitLab

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Jul 13, 2020
- Merge branch 'master' into reset-molecules · 1c5c2d8f
  Axel Kohlmeyer authored Jul 12, 2020
  
  1c5c2d8f
Jul 12, 2020
- Merge pull request #2227 from akohlmey/collected-small-fixes · 284b1618
  Axel Kohlmeyer authored Jul 11, 2020
  284b1618
- may not use pair_style kim before box is defined · 83291fdd
  Axel Kohlmeyer authored Jul 11, 2020
  83291fdd
- add space for terminating NULL byte in MPIIO dump styles. · f969d9ab
  Axel Kohlmeyer authored Jul 10, 2020
  f969d9ab
- count total number of styles including aliases, suffixes, and undocumented · f307d7f5
  Axel Kohlmeyer authored Jul 09, 2020
  
  f307d7f5
- adjust regex for removed styles to correctly handle command styles · cd0b034c
  Axel Kohlmeyer authored Jul 09, 2020
  
  cd0b034c
- add suppressions for googletest · b3060bc4
  Axel Kohlmeyer authored Jul 09, 2020
  
  b3060bc4
- zero out additionally allocated struct Param storage · e42342ff
  Axel Kohlmeyer authored Jul 09, 2020
  
  e42342ff
- more OpenMPI suppressions · 8359a438
  Axel Kohlmeyer authored Jul 08, 2020
  
  8359a438
- fix initialition issue · c6dc8b54
  Axel Kohlmeyer authored Jul 08, 2020
  
  c6dc8b54
- ewald_order needs to be saved in restart · 9fe0b1cb
  Axel Kohlmeyer authored Jul 08, 2020
  
  9fe0b1cb
- fix memory leak in pair style sw/intel for good · 47788872
  Axel Kohlmeyer authored Jul 08, 2020
  
  47788872
- fix typo · 510d5277
  Axel Kohlmeyer authored Jul 08, 2020
  
  510d5277
- avoid memory leak in pair style sw/intel · b49f0a6a
  Axel Kohlmeyer authored Jul 08, 2020
  
  b49f0a6a
- some more OpenMPI suppressions · 4b2c1f5e
  Axel Kohlmeyer authored Jul 08, 2020
  
  4b2c1f5e
- use fmtlib for writing data file coefficients. use mixed coefficients for PairIJCoeffs · d4da9956
  Axel Kohlmeyer authored Jul 08, 2020
  
  d4da9956
- several fixes to address issues detected by valgrind · 26e21852
  Axel Kohlmeyer authored Jul 08, 2020
  26e21852
- avoid googletest stalling on exit tests when using OpenMPI · 8eb77913
  Axel Kohlmeyer authored Jul 08, 2020
  
  8eb77913
- avoid illegal free() · 207232c1
  Axel Kohlmeyer authored Jul 08, 2020
  
  207232c1
- synchronize exception based and non-exception based code paths · ed452c36
  Axel Kohlmeyer authored Jul 08, 2020
  
  ed452c36
- use parenthesis to correct precedence · e6a8f3c8
  Axel Kohlmeyer authored Jul 07, 2020
  
  e6a8f3c8
- small tweak · 17d59a43
  Axel Kohlmeyer authored Jul 07, 2020
  
  17d59a43
- fix typo · 6f775f65
  Axel Kohlmeyer authored Jul 07, 2020
  
  6f775f65
- avoid exception when having a command fail due to an empty string · d0c54422
  Axel Kohlmeyer authored Jul 07, 2020
  
  d0c54422
- add prototypes for exception handling functions · 40e59b27
  Axel Kohlmeyer authored Jul 07, 2020
  
  40e59b27
- add missing symlink · f8321d77
  Axel Kohlmeyer authored Jul 06, 2020
  
  f8321d77
- refactor tester · d3200023
  Axel Kohlmeyer authored Jul 06, 2020
  
  d3200023
- Merge pull request #2226 from akohlmey/ubuntu-stable · e2e4305f
  Axel Kohlmeyer authored Jul 11, 2020
  e2e4305f
Jul 11, 2020
- update information about the ubuntu binaries to recommend the new stable packages · 8396ade2
  Axel Kohlmeyer authored Jul 10, 2020
  
  8396ade2
Jul 10, 2020
- avoid segfaults if fewer than 10 atoms or bounding box length is zero · 0c89b517
  Axel Kohlmeyer authored Jul 10, 2020
  
  0c89b517
- more death tests to reach 100% coverage · f0af7c68
  Axel Kohlmeyer authored Jul 09, 2020
  
  f0af7c68
- update and expand tester code for reset_mol_ids changes · d15264a6
  Axel Kohlmeyer authored Jul 09, 2020
  
  d15264a6
- remove debug code · bade009b
  Axel Kohlmeyer authored Jul 09, 2020
  
  bade009b
- count total number of styles including aliases, suffixes, and undocumented · 49780480
  Axel Kohlmeyer authored Jul 09, 2020
  
  49780480
- make compress yes the default · 9ec77585
  Axel Kohlmeyer authored Jul 09, 2020
  
  9ec77585
- adjust regex for removed styles to correctly handle command styles · 9c97ca11
  Axel Kohlmeyer authored Jul 09, 2020
  
  9c97ca11
- simplify formulations a little bit. update example command lines · e0e24799
  Axel Kohlmeyer authored Jul 09, 2020
  
  e0e24799
- whitespace fixes · 4a1acffd
  Axel Kohlmeyer authored Jul 09, 2020
  
  4a1acffd
- minor adjustments to new reset_mol_ids command · 9e832798
  Steve Plimpton authored Jul 09, 2020
  
  9e832798
Jul 08, 2020
- Merge pull request #2220 from lammps/doc-radians · 61e3b419
  Axel Kohlmeyer authored Jul 07, 2020
  61e3b419

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