Commits · 83291fdd67d5f0db86b1cdc893c7b1bfac5be136 · 郑智淋 / lammps · GitLab

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Jul 12, 2020
- 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
- Merge pull request #2214 from akohlmey/kspace-tests · 9e96b717
  Axel Kohlmeyer authored Jul 06, 2020
  9e96b717
- Merge pull request #2211 from athomps/compute-mliap · 2977a8aa
  Axel Kohlmeyer authored Jul 06, 2020
  2977a8aa
- Merge pull request #2210 from ohenrich/user-cgdna · d1b5b0a1
  Axel Kohlmeyer authored Jul 06, 2020
  d1b5b0a1
- Merge pull request #2205 from akohlmey/collected-small-changes · d768069c
  Axel Kohlmeyer authored Jul 06, 2020
  d768069c
- Merge pull request #2204 from rbberger/doc-changes · 5d0800be
  Axel Kohlmeyer authored Jul 06, 2020
  5d0800be
Jul 06, 2020
- add tests for unknown commands, quit, and reset_timestep · 9ec72d14
  Axel Kohlmeyer authored Jul 06, 2020
  
  9ec72d14
- avoid segfault when calling the log command without arguments · f1abfe24
  Axel Kohlmeyer authored Jul 06, 2020
  
  f1abfe24
- add unit tests for the suffix, thermo, and timestep commands · 461633e6
  Axel Kohlmeyer authored Jul 06, 2020
  
  461633e6
- we may not use "suffix on" before a suffix is defined. switching back to a... · 83d58ba5
  Axel Kohlmeyer authored Jul 06, 2020
  83d58ba5
- change lammps2pdb.pl to only ignore the first line of a data file. whitespace fixes · 1df59c4b
  Axel Kohlmeyer authored Jul 05, 2020
  
  1df59c4b

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