Commits · b1d4ca2b03281bbb176925077e7d7701229ea4b8 · 郑智淋 / lammps · GitLab

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Jun 29, 2020
- simplify class2 dihedral and improper · b1d4ca2b
  Axel Kohlmeyer authored Jun 29, 2020
  
  b1d4ca2b
- simplify pppm init output · 5e8a877f
  Axel Kohlmeyer authored Jun 29, 2020
  
  5e8a877f
- small tweak for passing r-RESPA tests with coulomb table · 385d239b
  Axel Kohlmeyer authored Jun 29, 2020
  
  385d239b
Jun 27, 2020
- Merge pull request #2192 from rbberger/permission_check_update · 51174d4a
  Axel Kohlmeyer authored Jun 26, 2020
  51174d4a
- update code owners · ec58267a
  Axel Kohlmeyer authored Jun 26, 2020
  
  ec58267a
- Merge pull request #2191 from akohlmey/simpler-add-fix-compute · fd66f32a
  Axel Kohlmeyer authored Jun 26, 2020
  fd66f32a
- Simplify tool: git only stores executable bit · 21462ede
  Richard Berger authored Jun 26, 2020
  
  21462ede
- fix formatting bug · 2c815bf3
  Axel Kohlmeyer authored Jun 26, 2020
  
  2c815bf3
- more simplification · 91502b8b
  Axel Kohlmeyer authored Jun 26, 2020
  
  91502b8b
- update temp and press compute creation in temperature and similar fixes · 41d62b8b
  Axel Kohlmeyer authored Jun 26, 2020
  
  41d62b8b
- must not forget to generate compute ids and store them. · a5651acb
  Axel Kohlmeyer authored Jun 26, 2020
  
  a5651acb
- add convenience functions to modify to simplify creation of fixes and computes · 1ea0eca2
  Axel Kohlmeyer authored Jun 26, 2020
  
  1ea0eca2
- simplify · 7318dd06
  Axel Kohlmeyer authored Jun 26, 2020
  
  7318dd06
- move misplaced neighbor list print log out output call · 05f310ef
  Axel Kohlmeyer authored Jun 26, 2020
  
  05f310ef
- Merge pull request #2167 from Vsevak/master · 66271448
  Axel Kohlmeyer authored Jun 26, 2020
  66271448
- Add missing kmod package to AMD ROCm container · f9a20228
  Richard Berger authored Jun 26, 2020
  
  f9a20228
- Merge pull request #2190 from akohlmey/more-fmtlib-uses · 3c19a496
  Axel Kohlmeyer authored Jun 26, 2020
  3c19a496
Jun 26, 2020
- add comment requested by @sjplimp · 40b62e11
  Axel Kohlmeyer authored Jun 26, 2020
  
  40b62e11
- add update README files · bdb4cc56
  Axel Kohlmeyer authored Jun 26, 2020
  
  bdb4cc56
- output summary simplifications · 74fc6439
  Axel Kohlmeyer authored Jun 26, 2020
  
  74fc6439
- simplify output handling in Finish class · f56563c7
  Axel Kohlmeyer authored Jun 26, 2020
  
  f56563c7
- more use of utils::logmesg() and {fmt} · c4855d95
  Axel Kohlmeyer authored Jun 26, 2020
  
  c4855d95
- fix logic bug triggering failures to read files without UNITS: tag · 24c3f1f7
  Axel Kohlmeyer authored Jun 26, 2020
  
  24c3f1f7
- set real units in cmap files · d4148b1b
  Axel Kohlmeyer authored Jun 26, 2020
  
  d4148b1b
- more output simplification with fmtlib, std::string, and utils::logmesg() · f2a4d12f
  Axel Kohlmeyer authored Jun 25, 2020
  
  f2a4d12f
- simplify more code with std::string and fmtlib · 84ec2cc3
  Axel Kohlmeyer authored Jun 25, 2020
  
  84ec2cc3
- more use of fmtlib and std::string · e4a3a518
  Axel Kohlmeyer authored Jun 25, 2020
  
  e4a3a518
- simplify · 4816c5c7
  Axel Kohlmeyer authored Jun 25, 2020
  
  4816c5c7
- make more use of std::string and fmtlib where beneficial · 3c78ad0a
  Axel Kohlmeyer authored Jun 25, 2020
  
  3c78ad0a
- remove debug code · 8caa3e18
  Axel Kohlmeyer authored Jun 25, 2020
  
  8caa3e18
- remove non-ASCII characters. · d46a1254
  Axel Kohlmeyer authored Jun 25, 2020
  
  d46a1254
- Merge pull request #2187 from Vsevak/tip4p_pressure_fix · 79c0dda0
  Axel Kohlmeyer authored Jun 25, 2020
  79c0dda0
- Merge pull request #2183 from akohlmey/pair-potential-file-unit-convert · d55a0612
  Axel Kohlmeyer authored Jun 25, 2020
  d55a0612
- Update ROCm container to version 3.5 · e6b3611c
  Richard Berger authored Jun 25, 2020
  
  e6b3611c
- adjust USER-QTB examples to match more closely with LAMMPS' style. add log files. · 284efadf
  Axel Kohlmeyer authored Jun 25, 2020
  
  284efadf
- Merge branch 'qtb_example' of github.com:stanmoore1/lammps into pair-potential-file-unit-convert · d9262749
  Axel Kohlmeyer authored Jun 25, 2020
  
  d9262749
- add conversion support to eam variants for KOKKOS · 0fc87dff
  Axel Kohlmeyer authored Jun 25, 2020
  
  0fc87dff
- apply the same clamping of "p" to eam/opt that is used in eam · b665ca3b
  Axel Kohlmeyer authored Jun 25, 2020
  
  b665ca3b
- document automatic unit conversion with units and pair_coeff commands · d9f07cef
  Axel Kohlmeyer authored Jun 25, 2020
  
  d9f07cef
- refactor EAM family of potentials to convert the potential data and leave compute functions alone · c989db60
  Axel Kohlmeyer authored Jun 25, 2020
  
  c989db60

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