Commits · v2020.2 · Annajiat Alim Rasel / GROMACS

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Apr 30, 2020
- 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
- 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
Apr 29, 2020
- Fix the number of steps check when checkpoint is loaded · e672c15f
  Artem Zhmurov authored Apr 29, 2020
  e672c15f
- 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
Apr 28, 2020
- 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
- Fix segmentation fault in do_dssp · f3c08f93
  Paul Bauer authored Apr 27, 2020 and Mark Abraham committed Apr 27, 2020
  f3c08f93
- Build python package for documentation builds · 3735615b
  Paul Bauer authored Apr 27, 2020
  3735615b
- Fix warning for return type · 0a5d6cf7
  Paul Bauer authored Apr 27, 2020
  0a5d6cf7
- Fix bug in source verification on Windows · b00211d5
  Paul Bauer authored Apr 24, 2020
  b00211d5
Apr 25, 2020
- Move configuration of global headers · d3f44838
  Mark Abraham authored Apr 25, 2020
  d3f44838
- Fix copyright header · 50244651
  Paul Bauer authored Apr 25, 2020 and Mark Abraham committed Apr 25, 2020
  50244651
- Fix MSVC 2019 warnings · 434d6c5a
  Roland Schulz authored Apr 24, 2020 and Mark Abraham committed Apr 25, 2020
  
  434d6c5a
- Use branch point also for format and copyright check · c6bb2191
  Paul Bauer authored Apr 23, 2020
  c6bb2191
Apr 24, 2020
- Fix parallel testing · 1b2ea585
  Paul Bauer authored Apr 24, 2020 and M. Eric Irrgang committed Apr 24, 2020
  1b2ea585
Apr 23, 2020
- Fix warnings for no-mpi build · c34057a2
  Mark Abraham authored Apr 13, 2020 and Paul Bauer committed Apr 23, 2020
  c34057a2
Apr 22, 2020
- Copy of CI from master to 2020 · 449c5a17
  Paul Bauer authored Apr 22, 2020
  449c5a17
Apr 14, 2020
- Reintroduce LJ Ewald tables · 94dd30d2
  Pascal Merz authored Apr 14, 2020
  94dd30d2
Apr 08, 2020
- Fix line overrun in log file · b3585aeb
  Kevin Boyd authored Apr 07, 2020
  
  b3585aeb
Apr 03, 2020
- Fix expanded ensemble on checkpoint restarts · 833ba675
  Pascal Merz authored Apr 02, 2020
  833ba675
Apr 01, 2020
- Fix minor bug with tools time-unit conversions · d83ec8c5
  Mark Abraham authored Apr 01, 2020 and Artem Zhmurov committed Apr 01, 2020
  d83ec8c5
Mar 30, 2020
- Set buffers appropriately so .xpm files can be read. · 634c1162
  Mark Abraham authored Mar 30, 2020
  634c1162
Mar 22, 2020
- Fix release builds on Gitlab with regressiontests · ff38dc4c
  Paul Bauer authored Mar 20, 2020
  ff38dc4c
- Add Documentation build to script · ea2d053c
  Paul Bauer authored Mar 20, 2020
  ea2d053c
Mar 20, 2020
- Add script to generate CI Docker files · d26f554a
  Paul Bauer authored Mar 13, 2020
  d26f554a
Mar 19, 2020
- Fix DLB initial state reporting · e25e880d
  Szilárd Páll authored Mar 05, 2020 and Artem Zhmurov committed Mar 19, 2020
  e25e880d
- Add required Infrastructure for Gitlab merges · f518d72b
  Paul Bauer authored Mar 18, 2020
  f518d72b
Mar 18, 2020
- Fix image mixup for GItlab doc builds · bf25e52b
  Paul Bauer authored Mar 18, 2020
  bf25e52b
Mar 17, 2020
- Disable Ewald dipole correction without DD · c4878aff
  Berk Hess authored Mar 16, 2020 and Mark Abraham committed Mar 17, 2020
  c4878aff
Mar 10, 2020
- Distinguish Docker images for different release requirements. · 7bd5c7f7
  M. Eric Irrgang authored Mar 06, 2020 and M. Eric Irrgang committed Mar 10, 2020
  7bd5c7f7
Mar 07, 2020
- cmake: use libsuffix on gmxapi as well · 0e1d4376
  Christoph Junghans authored Mar 07, 2020
  0e1d4376
- Manage the list of image tags in Docker build script. · 3ba43a73
  M. Eric Irrgang authored Mar 06, 2020 and M. Eric Irrgang committed Mar 07, 2020
  3ba43a73
- Add clang-tidy script · b514b684
  Paul Bauer authored Feb 21, 2020 and Artem Zhmurov committed Mar 07, 2020
  b514b684
Mar 04, 2020
- Fix seg fault caused by unintended GPU PME coordinate send · a8079b47
  Alan Gray authored Mar 04, 2020
  a8079b47
Mar 03, 2020
- Prepare for 2020.2 · 132bd020
  Paul Bauer authored Feb 24, 2020
  132bd020