Commits · b33974cd198365c08e34395122f1c484ed133126 · 郑智淋 / lammps · GitLab

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Jul 15, 2020
- add code to check for duplicate atom IDs in Bodies section · b33974cd
  Axel Kohlmeyer authored Jul 14, 2020
  
  b33974cd
- revert incorrect zeroing of non-existing inertia array elements · be440c71
  Axel Kohlmeyer authored Jul 14, 2020
  
  be440c71
Jul 14, 2020
- update body/nparticle tester · d6e6b840
  Axel Kohlmeyer authored Jul 14, 2020
  
  d6e6b840
- zero all six moments of inertia if small. · 54862995
  Axel Kohlmeyer authored Jul 14, 2020
  
  54862995
- silence compiler warning · 113825f8
  Axel Kohlmeyer authored Jul 14, 2020
  
  113825f8
- Merge branch 'write-bonus-data' of github.com:lammps/lammps into write-bonus-data · 20824203
  Axel Kohlmeyer authored Jul 14, 2020
  
  20824203
- start writing tester for body/nparticle · 18928c66
  Axel Kohlmeyer authored Jul 13, 2020
  
  18928c66
- start writing tester for body/nparticle · 4b9c2ab1
  Axel Kohlmeyer authored Jul 13, 2020
  
  4b9c2ab1
- fix bug in tester for atom style tri · ea1d4477
  Axel Kohlmeyer authored Jul 13, 2020
  
  ea1d4477
- fix typo, reformat paragraph · 5a73b1de
  Axel Kohlmeyer authored Jul 13, 2020
  
  5a73b1de
Jul 13, 2020
- add test for atom style tri · 00413ae9
  Axel Kohlmeyer authored Jul 12, 2020
  
  00413ae9
- add tests for deleted bonds and angles to bond/angle tests suites · 8f95b4a5
  Axel Kohlmeyer authored Jul 12, 2020
  
  8f95b4a5
- fix buffer size and format bugs in atom_vec_tri.cpp · 60f078a8
  Axel Kohlmeyer authored Jul 12, 2020
  
  60f078a8
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

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