Commits · master · Erik Lindahl / GROMACS

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Nov 15, 2021
- Update Umbrella-Issue.md · 834213da
  Erik Lindahl authored Nov 15, 2021
  
  834213da
- Upload New File · a840144a
  Erik Lindahl authored Nov 15, 2021
  
  a840144a
- Upload New File · fd46a3e9
  Erik Lindahl authored Nov 15, 2021
  
  fd46a3e9
- Upload New File · 93ad69dd
  Erik Lindahl authored Nov 15, 2021
  
  93ad69dd
- Upload New File · 58863e8a
  Erik Lindahl authored Nov 15, 2021
  
  58863e8a
- Upload New File · 530cdf39
  Erik Lindahl authored Nov 15, 2021
  
  530cdf39
- Upload New File · 3f855d3a
  Erik Lindahl authored Nov 15, 2021
  
  3f855d3a
- Add new directory · 62c2acc7
  Erik Lindahl authored Nov 15, 2021
  
  62c2acc7
- Upload New File · 4d1cb8c0
  Erik Lindahl authored Nov 15, 2021
  
  4d1cb8c0
- Upload New File · 8e3753e4
  Erik Lindahl authored Nov 15, 2021
  
  8e3753e4
- Upload New File · 5af8c27a
  Erik Lindahl authored Nov 15, 2021
  
  5af8c27a
- Upload New File · dcd53f7e
  Erik Lindahl authored Nov 15, 2021
  
  dcd53f7e
- Upload New File · b59e527d
  Erik Lindahl authored Nov 15, 2021
  
  b59e527d
- Upload New File · 05863e4f
  Erik Lindahl authored Nov 15, 2021
  
  05863e4f
- Upload New File · 5da55c30
  Erik Lindahl authored Nov 15, 2021
  
  5da55c30
- Upload New File · 2bfc3300
  Erik Lindahl authored Nov 15, 2021
  
  2bfc3300
- Add new directory · 8df0e1d5
  Erik Lindahl authored Nov 15, 2021
  
  8df0e1d5
- Add new directory · 17ded94e
  Erik Lindahl authored Nov 15, 2021
  
  17ded94e
May 25, 2020
- Fix awk error in clang-tidy script · 6ddb4cac
  Paul Bauer authored May 25, 2020 and Mark Abraham committed May 25, 2020
  6ddb4cac
- Remove dependence on t_mdatoms from GPU version of leap-frog · 4c7eb8a3
  Artem Zhmurov authored May 25, 2020
  
  4c7eb8a3
- Fix clang-tidy warnings · 99f98571
  Paul Bauer authored May 25, 2020
  99f98571
May 24, 2020
- Add conversion from new to legacy symtab · c595a0b1
  Paul Bauer authored May 24, 2020 and Mark Abraham committed May 24, 2020
  c595a0b1
- Clean up grompp memory leaks in rotation and pull structures. · f2a3a72c
  Kevin Boyd authored May 24, 2020 and Mark Abraham committed May 24, 2020
  f2a3a72c
- Avoid parsing of fatalerror.cpp as lint failure · d10dc19c
  Paul Bauer authored May 24, 2020 and Mark Abraham committed May 24, 2020
  d10dc19c
May 23, 2020
- Modernize convert-tpr · 30dc1d86
  Paul Bauer authored May 23, 2020
  30dc1d86
- Remove dependence on t_mdatoms from pull code · 21a29411
  Artem Zhmurov authored May 22, 2020
  21a29411
- Add tests for tool help output writing · c0dcb147
  Paul Bauer authored May 23, 2020
  c0dcb147
May 22, 2020
- Remove dependence of constraints on t_mdatoms · 62d9e131
  Artem Zhmurov authored May 22, 2020
  62d9e131
- Remove dependence of constraints on t_mdatoms · 10c31b14
  Artem Zhmurov authored May 22, 2020 and Mark Abraham committed May 22, 2020
  10c31b14
May 20, 2020
- Fix compile errors · ed6f6d9a
  Paul Bauer authored May 20, 2020 and Artem Zhmurov committed May 20, 2020
  ed6f6d9a
- Remove t_mdatoms from Nbnxm setAtomProperties() · f10bc625
  Berk Hess authored May 20, 2020
  
  f10bc625
- Make sure images have /usr/bin/python · c54a6b2e
  M. Eric Irrgang authored May 14, 2020 and Artem Zhmurov committed May 20, 2020
  c54a6b2e
May 19, 2020
- Refactor print_missing_interactions() · d758702e
  Berk Hess authored May 15, 2020 and Artem Zhmurov committed May 19, 2020
  
  d758702e
- Remove unnecessary includes of arrayref.h · d1245941
  Paul Bauer authored May 19, 2020 and Artem Zhmurov committed May 19, 2020
  d1245941
May 15, 2020
- Unify CUDA and OpenCL lookup-table creation · d3ce8501
  Artem Zhmurov authored May 15, 2020 and Paul Bauer committed May 15, 2020
  d3ce8501
May 14, 2020
- Update docker image build scripts for master branch. · f2b7ae68
  M. Eric Irrgang authored May 14, 2020 and Mark Abraham committed May 14, 2020
  f2b7ae68
- Make sure CI script can call /bin/env python` · 59f90bf7
  M. Eric Irrgang authored May 14, 2020 and Mark Abraham committed May 14, 2020
  59f90bf7
- Minor clean up to buildall.sh · 676cba96
  M. Eric Irrgang authored May 14, 2020 and Mark Abraham committed May 14, 2020
  676cba96
- Allow llvm option already used in buildall.sh script. · f7e7c5f4
  M. Eric Irrgang authored May 14, 2020 and Mark Abraham committed May 14, 2020
  f7e7c5f4
- Reduce console log output from sample_restraint tests. · 8ef7d5b5
  M. Eric Irrgang authored May 14, 2020 and Paul Bauer committed May 14, 2020
  8ef7d5b5