Commits · 48b7b7d722988276ed23a987dd4ddc7937388e03 · 郑智淋 / lammps · GitLab

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Jun 05, 2020
- fix up change_box and displace_atoms lost atoms error message · 48b7b7d7
  Axel Kohlmeyer authored Jun 04, 2020
  
  48b7b7d7
- more local buffers removed and file error status added. · 54a8b4e0
  Axel Kohlmeyer authored Jun 04, 2020
  
  54a8b4e0
- get rid of local buffers and snprinf() · 62ee8d41
  Axel Kohlmeyer authored Jun 04, 2020
  
  62ee8d41
- remove local buffer for error message in Force class · 4b58e33b
  Axel Kohlmeyer authored Jun 04, 2020
  
  4b58e33b
- remove local buffers and snprintf() for file open error messages. · 2777d37a
  Axel Kohlmeyer authored Jun 04, 2020
  
  2777d37a
- add convenience function to get the output of strerror(errno) as c++ string · 47888b58
  Axel Kohlmeyer authored Jun 04, 2020
  
  47888b58
Jun 04, 2020
- simplify communication cutoff warnings · 75e4cff4
  Axel Kohlmeyer authored Jun 04, 2020
  
  75e4cff4
- update fix restrain to use {fmt} and be 64-bit atom id compatible · aab4bc8a
  Axel Kohlmeyer authored Jun 03, 2020
  
  aab4bc8a
- fix style issue · 9297211b
  Axel Kohlmeyer authored Jun 03, 2020
  
  9297211b
- remove .c_str() and simplify output in several places · dd11fb39
  Axel Kohlmeyer authored Jun 03, 2020
  
  dd11fb39
- convert Error class to accept 'const std::string &' instead of 'const char *' · 9f3f53cc
  Axel Kohlmeyer authored Jun 03, 2020
  
  9f3f53cc
- Merge pull request #2124 from sachu92/fix_controller_process_variable_fix · 9e8ce240
  Axel Kohlmeyer authored Jun 03, 2020
  9e8ce240
Jun 03, 2020
- Parsing of process variable in fix controller corrected · aacb9648
  Sachin Krishnan TV authored Jun 03, 2020
  
  aacb9648
Jun 02, 2020
- Merge pull request #2120 from lammps/next_lammps_version · 981cfd42
  Axel Kohlmeyer authored Jun 01, 2020
  View commits for tag patch_2Jun2020 patch_2Jun2020
  
  981cfd42
- Merge pull request #2106 from jrgissing/bond/react-molecule-fragment-support · 5193ee70
  Axel Kohlmeyer authored Jun 01, 2020
  5193ee70
Jun 01, 2020
- Merge pull request #2119 from akohlmey/more-test-files · 1ca236da
  Axel Kohlmeyer authored Jun 01, 2020
  1ca236da
- Merge branch 'master' into bond/react-molecule-fragment-support · b8182613
  Axel Kohlmeyer authored May 31, 2020
  
  b8182613
- rephrase to use more common term · 09ce0d11
  Axel Kohlmeyer authored May 31, 2020
  
  09ce0d11
- Merge pull request #2103 from lammps/add-fmt-lib · e449cdf9
  Axel Kohlmeyer authored May 31, 2020
  e449cdf9
May 31, 2020
- step version strings for next patch release · acf28081
  Axel Kohlmeyer authored May 31, 2020
  
  acf28081
- remove unneeded justification marker · 7ab55a86
  Axel Kohlmeyer authored May 31, 2020
  
  7ab55a86
- add a bunch of tests for utils::strmatch() · 88cedc27
  Axel Kohlmeyer authored May 31, 2020
  
  88cedc27
- expand tests for valid and invalid numbers · 4a21ad7b
  Axel Kohlmeyer authored May 31, 2020
  
  4a21ad7b
- sync with header · f5be01e4
  Axel Kohlmeyer authored May 31, 2020
  
  f5be01e4
- add extra parenthesis to indicate that assignment is intentional in logical expression · 89bffb2e
  Axel Kohlmeyer authored May 31, 2020
  
  89bffb2e
- silence compiler warnings: const has no effect on return type · 4f169e99
  Axel Kohlmeyer authored May 31, 2020
  
  4f169e99
- Merge branch 'master' into add-fmt-lib · ee907966
  Axel Kohlmeyer authored May 31, 2020
  ee907966
- add tests for a bunch of coulomb only pair styles · 7ebad527
  Axel Kohlmeyer authored May 31, 2020
  
  7ebad527
- correct forces in single function and simplify a little · 633b66d4
  Axel Kohlmeyer authored May 31, 2020
  
  633b66d4
- cannot compare Pair::compute() vs. Pair::single for styles with coul/dsf or... · 661b0ee8
  Axel Kohlmeyer authored May 31, 2020
  661b0ee8
- add tests for a whole bunch of CHARMM pair styles · 64b684ee
  Axel Kohlmeyer authored May 31, 2020
  
  64b684ee
- correct force calculation in lj/charmm/coul/msm/omp · 1493ae5c
  Axel Kohlmeyer authored May 31, 2020
  
  1493ae5c
- fix bug in r-RESPA neighborlist setup for lj/charmmfsw/coul/long · a820b7d3
  Axel Kohlmeyer authored May 31, 2020
  
  a820b7d3
- fix factor 0.5 bug in lj/charmm/coul/charmm/implicit/omp · f7a0f667
  Axel Kohlmeyer authored May 31, 2020
  
  f7a0f667
- add endpoint gradients for two bond tables · eb60b049
  Axel Kohlmeyer authored May 30, 2020
  
  eb60b049
- output endpoint gradient for some angle tabulations · 91272e76
  Axel Kohlmeyer authored May 30, 2020
  
  91272e76
- Merge pull request #2113 from rbberger/tokenizer · bb8f6e94
  Axel Kohlmeyer authored May 30, 2020
  bb8f6e94
- add a whole bunch of angle style tests · 0f6e9630
  Axel Kohlmeyer authored May 30, 2020
  
  0f6e9630
- use a smaller bond table · 69ba5ea9
  Axel Kohlmeyer authored May 30, 2020
  
  69ba5ea9
- Merge pull request #2105 from ndtrung81/rigid-nve-norot · 814082a2
  Axel Kohlmeyer authored May 30, 2020
  814082a2

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