Commits · master · Jakub Krajniak / GROMACS

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May 12, 2020
- Refine usage of *job:tags* parameter. · beaf7d56
  M. Eric Irrgang authored May 12, 2020
  beaf7d56
- Extract helper force buffers to a separate class · 73f58164
  Berk Hess authored May 12, 2020 and Paul Bauer committed May 12, 2020
  73f58164
- Refactor virtual site interface · 18f64ca4
  Berk Hess authored May 12, 2020 and Paul Bauer committed May 12, 2020
  18f64ca4
- Fix archive build · 5cd8c68b
  Paul Bauer authored May 12, 2020
  5cd8c68b
May 11, 2020
- Remove the duplicating note from the release notes · a085a6b7
  Artem Zhmurov authored May 11, 2020
  a085a6b7
- Unify CUDA and OpenCL lookup-table creation · 986b2bb1
  Artem Zhmurov authored May 11, 2020 and Mark Abraham committed May 11, 2020
  986b2bb1
May 06, 2020
- Merge branch 'origin/release-2020' into master · dab12021
  Paul Bauer authored May 06, 2020
  dab12021
May 05, 2020
- Fix copyright · 0f2c330f
  Paul Bauer authored May 05, 2020
  0f2c330f
- Unify CUDA and OpenCL lookup-table creation · c048437f
  Artem Zhmurov authored May 05, 2020 and Mark Abraham committed May 05, 2020
  c048437f
May 04, 2020
- Fix cmake error: Mixed styles of target_link_libraries signatures · 90e19427
  Paul Bauer authored May 04, 2020 and Mark Abraham committed May 04, 2020
  90e19427
- Unify CUDA and OpenCL lookup-table creation · 5f8899ba
  Artem Zhmurov authored May 04, 2020 and Mark Abraham committed May 04, 2020
  5f8899ba
- Use test conversion script from source · 653fef1d
  Paul Bauer authored Apr 29, 2020
  653fef1d
- Fix incorrect header and linter scripts · 2f43845f
  Paul Bauer authored Apr 30, 2020
  2f43845f
- Catch errors in v-rescale and Parrinello-Rahman checkpointing · ebb7735b
  Pascal Merz authored Apr 30, 2020 and Paul Bauer committed May 04, 2020
  ebb7735b
May 01, 2020
- Prepare for 2020.3 · 1245ef41
  Paul Bauer authored Apr 29, 2020
  1245ef41
Apr 30, 2020
- cmake: declare (and hence initialize) GMX_USE_SIMD_KERNELS before it is used · 18baf067
  Gilles Gouaillardet authored Apr 30, 2020
  18baf067
- GROMACS version 2020.2 · 5e788350
  Paul Bauer authored Apr 29, 2020
  View commits for tag v2020.2 v2020.2
  5e788350
- Print base commit for source linters · 80a244c4
  Paul Bauer authored Apr 29, 2020
  80a244c4
- Fix incorrect header and linter scripts · c555120d
  Paul Bauer authored Apr 30, 2020
  c555120d
- Remove bundled FindCUDA.cmake · 2d7f6a94
  Mark Abraham authored Apr 30, 2020 and Paul Bauer committed Apr 30, 2020
  2d7f6a94
- Disallow combination of gcc > 9 and IBM_VSX · 60a138c5
  Paul Bauer authored Apr 30, 2020
  60a138c5
- Fix compiler flag reporting · fa5a87d9
  Mark Abraham authored Apr 30, 2020 and Paul Bauer committed Apr 30, 2020
  fa5a87d9
- Update header sorting. · 44208ac3
  M. Eric Irrgang authored Apr 24, 2020
  44208ac3
- Require C++17 standard and STL features. · 175d3bb6
  M. Eric Irrgang authored Apr 29, 2020
  175d3bb6
- Add EOF newlines to eliminate compiler warnings · df9eb546
  Joe Jordan authored Apr 29, 2020 and Mark Abraham committed Apr 30, 2020
  
  df9eb546
- Remove cmake logic that is outdated by requiring cmake 3.13 · 33c239be
  Joe Jordan authored Apr 29, 2020 and Mark Abraham committed Apr 30, 2020
  
  33c239be
Apr 29, 2020
- Update cmake version for docs container · 78977d72
  Mark Abraham authored Apr 29, 2020 and Paul Bauer committed Apr 29, 2020
  78977d72
- Print base commit for source linters · 9bcec742
  Paul Bauer authored Apr 29, 2020
  9bcec742
- Fix the number of steps check when checkpoint is loaded · e672c15f
  Artem Zhmurov authored Apr 29, 2020
  e672c15f
- Apply more granular CTest time-out policy. · 3d39410f
  M. Eric Irrgang authored Apr 28, 2020
  3d39410f
- Use test conversion script from source · 3e68aecb
  Paul Bauer authored Apr 29, 2020
  3e68aecb
- Baseline commit · 10893af7
  Mark Abraham authored Apr 29, 2020 and Paul Bauer committed Apr 29, 2020
  10893af7
- Fixed several clang-tidy issues · f4903a7b
  Mark Abraham authored Apr 28, 2020 and Artem Zhmurov committed Apr 29, 2020
  f4903a7b
Apr 28, 2020
- Address review comments · 0cf283bc
  Joe Jordan authored Apr 28, 2020 and Joe Jordan committed Apr 28, 2020
  
  0cf283bc
- Simplify calc_listed signature · 4cd6b887
  Joe Jordan authored Apr 27, 2020 and Joe Jordan committed Apr 28, 2020
  4cd6b887
- Fix issues with check-source · 065e79ab
  Joe Jordan authored Apr 28, 2020
  
  065e79ab
- Add clang WA · 30e28dc3
  Roland Schulz authored Apr 26, 2020 and Mark Abraham committed Apr 28, 2020
  
  30e28dc3
- Fix MSVC 2019 test failures · 81cb8a07
  Roland Schulz authored Apr 26, 2020 and Mark Abraham committed Apr 28, 2020
  81cb8a07
Apr 27, 2020
- Fix the removal of COM velocity in case of GPU update · 7b9c6af3
  Artem Zhmurov authored Apr 27, 2020 and Mark Abraham committed Apr 27, 2020
  7b9c6af3
- Resolve static analyzer warnings from google tests. · 6472da45
  M. Eric Irrgang authored Apr 27, 2020
  6472da45