Commits · v5.1 · evetsso / GROMACS

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Aug 14, 2015
- Version 5.1 · b7fc2728
  Mark Abraham authored Aug 13, 2015
  View commits for tag v5.1 v5.1
  b7fc2728
- Make mdrun -nt work again · 5168fdee
  Berk Hess authored Aug 12, 2015 and Mark Abraham committed Aug 14, 2015
  5168fdee
Aug 13, 2015
- Make it easier to find selection help · c99cdd50
  Mark Abraham authored Aug 13, 2015
  c99cdd50
- Re-enable multi-GPU support in OpenCL for thread MPI · 3a044176
  Mark Abraham authored Aug 12, 2015 and Erik Lindahl committed Aug 13, 2015
  3a044176
- Documentation fixes · d96087de
  Mark Abraham authored Aug 11, 2015
  d96087de
- add clFlush to kick of OpenCL work · 73e5825a
  Szilárd Páll authored Jul 22, 2015
  73e5825a
- Avoid FP exception with empty .mdp file · 5306ce1d
  Mark Abraham authored Aug 12, 2015
  5306ce1d
Aug 12, 2015
- Add documentation for energygrps with GPUs · a61c5d9b
  Mark Abraham authored Aug 12, 2015
  a61c5d9b
- Add to author lists · 0c5e0722
  Mark Abraham authored Aug 11, 2015
  0c5e0722
- Prevent AMD OpenCL on OS X prior to 10.10.4 · c66e8fa3
  Erik Lindahl authored Aug 05, 2015
  c66e8fa3
Aug 11, 2015
- Fix for processors being offline on Arm · 2a5b0b6e
  Erik Lindahl authored Aug 07, 2015
  2a5b0b6e
- Abort if PME tuning is active and counters reset · 785aad1a
  Mark Abraham authored Aug 08, 2015
  785aad1a
Aug 10, 2015
- Fix some stuff in user and install guide · 66d13bf3
  James W. Barnett authored Aug 06, 2015
  66d13bf3
- Require tune_pme to take -mdrun parameter · 1cacfdf5
  Mark Abraham authored Aug 07, 2015
  1cacfdf5
Aug 08, 2015
- Merge branch release-5-0 into release-5-1 · 2081b311
  Mark Abraham authored Aug 08, 2015
  2081b311
- Fix some phrases that were not appearing in manual · f57e748d
  James W. Barnett authored Aug 06, 2015
  f57e748d
- Fix docs of ftypes of dihedrals · cf61f98e
  Mark Abraham authored Aug 06, 2015
  cf61f98e
Aug 06, 2015
- Fix FindNVML.cmake · f9747f2c
  Mark Abraham authored Aug 05, 2015
  f9747f2c
- Avoid using C++11-specific data() of std::vector · 64dc1186
  Erik Lindahl authored Aug 05, 2015
  64dc1186
- Fix thread-affinity checking · f04f6b6a
  Mark Abraham authored Jul 07, 2015
  f04f6b6a
Aug 05, 2015
- Fix em dash in new reference · bf519289
  Mark Abraham authored Aug 05, 2015
  bf519289
- Fix PGI compiler flag · 8a4dc356
  Erik Lindahl authored Aug 05, 2015
  8a4dc356
Aug 04, 2015
- Merge release-5-0 into release-5-1 · bc51e737
  Mark Abraham authored Aug 04, 2015
  bc51e737
Aug 03, 2015
- Fix use of wrongly-named GCC minor-version variable · 34f9b462
  Mark Abraham authored Aug 03, 2015
  34f9b462
- Fix possible linking of libxml2 to zlib · a61f2af5
  Mark Abraham authored Aug 03, 2015
  a61f2af5
Jul 26, 2015
- Merge branch release-5-0 into release-5-1 · 203fb41e
  Mark Abraham authored Jul 26, 2015
  203fb41e
- Stop mdrun printing potentially undefined value · ad4cbeec
  Mark Abraham authored Jul 07, 2015
  ad4cbeec
- Version bumps after new release · 64f71d10
  Mark Abraham authored Jul 26, 2015
  64f71d10
Jul 24, 2015
- Version 5.0.6 · 46549d4a
  Mark Abraham authored Jul 24, 2015
  View commits for tag v5.0.6 v5.0.6
  46549d4a
Jul 20, 2015
- Merge release-5-0 into release-5-1 · 61ba45d5
  Teemu Murtola authored Jul 20, 2015
  61ba45d5
Jul 19, 2015
- Update advice about grompp -t · 9457e6db
  Mark Abraham authored Jul 13, 2015
  9457e6db
Jul 17, 2015
- Fixed gmx sasa output residue numbering · 699a16c1
  Carlo Camilloni authored Jul 16, 2015
  699a16c1
- Fix incorrect warning about only using single core · 90d9828b
  Erik Lindahl authored Jul 13, 2015
  90d9828b
Jul 15, 2015
- Removed information about obsolete .edo file format · 802328d4
  Carsten authored Jul 15, 2015
  802328d4
- Implement zsh shell completions. · 6990a0a5
  James W. Barnett authored Jul 14, 2015
  6990a0a5
Jul 14, 2015
- Update example old mdp file in user guide. · 731276f5
  James W. Barnett authored Jul 12, 2015
  731276f5
Jul 13, 2015
- Fix spelling errors in user guide. · c08f182e
  James W. Barnett authored Jul 13, 2015
  c08f182e
Jul 09, 2015
- Fix -deffnm -multi[dir] · 10a5f4c1
  Teemu Murtola authored Jul 09, 2015
  10a5f4c1
Jul 08, 2015
- Merge release-5-0 into release-5-1 · 90e5c7b6
  Roland Schulz authored Jul 08, 2015
  90e5c7b6
- Give bTypePerturbed a valid initial value · 812787ac
  Mark Abraham authored Jul 07, 2015
  812787ac