Commits · 5f14d5c87fee1acd9810b5260b4d71d17f33b6e2 · 郑智淋 / lammps · GitLab

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Jul 12, 2020
- must not override flag for negative angles and bonds · 5f14d5c8
  Axel Kohlmeyer authored Jul 11, 2020
  
  5f14d5c8
- Merge branch 'master' into write-bonus-data · 25e54bd6
  Axel Kohlmeyer authored Jul 11, 2020
  
  25e54bd6
- 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
- whitespace fixes · 64dad33c
  Axel Kohlmeyer authored Jul 10, 2020
  
  64dad33c
- Merge branch 'write-bonus-data' of github.com:lammps/lammps into write-bonus-data · a5a1706f
  Steve Plimpton authored Jul 10, 2020
  
  a5a1706f
- write_data support for body style rounded/polyhedron · 92d225a6
  Steve Plimpton authored Jul 10, 2020
  
  92d225a6
- add checks for atom style bond with newton off. add basic test for atom style angle · a28db101
  Axel Kohlmeyer authored Jul 10, 2020
  
  a28db101
- whitespace fixes · 0825e71a
  Axel Kohlmeyer authored Jul 10, 2020
  
  0825e71a
- enables body style rounded/polygon to write to data files · 9b3ffa54
  Steve Plimpton authored Jul 10, 2020
  
  9b3ffa54
Jul 10, 2020
- finalize atom style tester changes · a402de41
  Axel Kohlmeyer authored Jul 10, 2020
  
  a402de41
- update tester for renaming reset_ids to reset_atom_ids · 772d75a6
  Axel Kohlmeyer authored Jul 10, 2020
  
  772d75a6
- Merge branch 'reset-molecules' into write-bonus-data · df63d414
  Axel Kohlmeyer authored Jul 10, 2020
  
  df63d414
- add initial implementation for atom style bond tester · 8102045f
  Axel Kohlmeyer authored Jul 10, 2020
  
  8102045f

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