Commits · db289ba0b30a1fcf13ba9e1bae8a69dcb79b22af · 郑智淋 / lammps · GitLab

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Jul 13, 2020
- update all force style reference results after refactoring of test codes · db289ba0
  Axel Kohlmeyer authored Jul 12, 2020
  
  db289ba0
- rename test programs to be consistent with the other programs in the unittest tree · 24b5cd7d
  Axel Kohlmeyer authored Jul 12, 2020
  
  24b5cd7d
- refactor force-style tester programs to get rid of stringstream and local buffers · 9cbb2e9d
  Axel Kohlmeyer authored Jul 12, 2020
  9cbb2e9d
- add test for pair style kim · 38011f6a
  Axel Kohlmeyer authored Jul 12, 2020
  
  38011f6a
- Merge branch 'pair_kim_before_box' of github.com:ellio167/lammps into collected-small-fixes · b65f6b3b
  Axel Kohlmeyer authored Jul 12, 2020
  
  b65f6b3b
- update output formatting · ed1bdb8e
  Axel Kohlmeyer authored Jul 12, 2020
  
  ed1bdb8e
- Update pair_kim.cpp so settings() may come before box is defined · 66274e78
  Ryan S. Elliott authored Jul 12, 2020
  66274e78
Jul 12, 2020
- tweak output formatting · 38d9c0be
  Axel Kohlmeyer authored Jul 11, 2020
  
  38d9c0be
- refactor using fmtlib and utils:: · 9e1d560f
  Axel Kohlmeyer authored Jul 11, 2020
  
  9e1d560f
- 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 08, 2020
- Merge pull request #2220 from lammps/doc-radians · 61e3b419
  Axel Kohlmeyer authored Jul 07, 2020
  61e3b419
- clarify units for energy terms with angles · 6239a579
  Steve Plimpton authored Jul 07, 2020
  
  6239a579
Jul 07, 2020
- Merge pull request #2216 from ndtrung81/tersoff-gpu · 6bf32909
  Axel Kohlmeyer authored Jul 06, 2020
  6bf32909

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