Commits · v5.1.1 · Yiqi Chen / GROMACS

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Nov 04, 2015
- Version 5.1.1 · e154c209
  Mark Abraham authored Oct 30, 2015
  View commits for tag v5.1.1 v5.1.1
  e154c209
- Tweak NVML-related messages · ecafd20e
  Szilárd Páll authored Oct 21, 2015
  ecafd20e
Nov 02, 2015
- Fix intermolecular interactions with small mols · 8096ca5b
  Berk Hess authored Nov 02, 2015
  8096ca5b
- Fix signal type · e55bc2d4
  Szilárd Páll authored Nov 02, 2015
  e55bc2d4
Oct 28, 2015
- Suppress warnings when we have OpenCL 2.0 support · 0def745e
  Mark Abraham authored Oct 28, 2015
  0def745e
Oct 24, 2015
- Avoid using incompatible NVML version · 89977037
  Szilárd Páll authored Oct 08, 2015
  89977037
Oct 22, 2015
- Quiet FindNVML · 0ac652df
  Szilárd Páll authored Oct 21, 2015
  0ac652df
- Use include_directories(SYSTEM ...) consistently · 411d1811
  Teemu Murtola authored Oct 18, 2015
  411d1811
- Merge "Merge release-5-0 into release-5-1" into release-5-1 · 055f7726
  Erik Lindahl authored Oct 22, 2015
  
  055f7726
Oct 19, 2015
- Fix cycle subcounters · 529fb9e4
  Mark Abraham authored Oct 17, 2015
  529fb9e4
Oct 18, 2015
- Removed dihedrals from GLY .rtp entry. · 5a9e1d8d
  Justin Lemkul authored Oct 15, 2015
  5a9e1d8d
Oct 15, 2015
- Add CUDA nvcc >=7.0 support · 4d6ead73
  Szilárd Páll authored Sep 29, 2015 and Mark Abraham committed Oct 15, 2015
  4d6ead73
- Correct CUDA version comparisons · 8e5fbe6d
  Szilárd Páll authored Sep 29, 2015
  8e5fbe6d
- Fixed nbnxn_4xN performance regression · 3b52c4ab
  Berk Hess authored Oct 13, 2015 and David van der Spoel committed Oct 15, 2015
  3b52c4ab
- Fix reset error message · fd7f8e7e
  Szilárd Páll authored Oct 15, 2015
  fd7f8e7e
Oct 14, 2015
- Merge release-5-0 into release-5-1 · b7fb47a1
  Mark Abraham authored Oct 14, 2015
  b7fb47a1
- Version bumps after release · 1f04b588
  Mark Abraham authored Oct 14, 2015
  1f04b588
- Version 5.0.7 · f9b0993b
  Mark Abraham authored Oct 07, 2015
  View commits for tag v5.0.7 v5.0.7
  f9b0993b
- Make bash completions work with bash --posix · cb4cc774
  Teemu Murtola authored Oct 14, 2015
  cb4cc774
Oct 13, 2015
- Merge branch release-4-6 into release-5-0 · 55c69ac2
  Mark Abraham authored Oct 13, 2015
  55c69ac2
Oct 12, 2015
- Fix for lack of COM removal for md-vv · 08b2d506
  Michael Shirts authored May 22, 2015
  08b2d506
Oct 07, 2015
- Fix bugs with intermol interactions and DD · df199b1e
  Berk Hess authored Sep 11, 2015 and David van der Spoel committed Oct 07, 2015
  df199b1e
- Fixed FFTW detection status message location · 5e7f5107
  Mark Abraham authored Oct 07, 2015
  5e7f5107
Oct 05, 2015
- Merge release-5-0 into release-5-1 · 4ca78593
  Mark Abraham authored Oct 05, 2015
  4ca78593
Oct 03, 2015
- Fix FindFFTW behaviour · 1909f2ff
  Mark Abraham authored Sep 22, 2015
  1909f2ff
- Fix mdrun -nb auto -rerun with GPU and energy groups · e081d633
  Mark Abraham authored Sep 15, 2015
  e081d633
Oct 02, 2015
- Fix -seltype option for C++ tools · 528f2227
  Teemu Murtola authored Sep 25, 2015
  528f2227
- Fixed a bug in computational electrophysiology with DD · b8c0f1ef
  Carsten authored Sep 28, 2015
  b8c0f1ef
Sep 29, 2015
- Fixes bug in the computation of Coefficient of Thermal Expansion · a6c5fd35
  David van der Spoel authored Sep 18, 2015
  a6c5fd35
Sep 26, 2015
- Fix reaction-field warning message · 1e92c2e4
  Mark Abraham authored Sep 26, 2015
  1e92c2e4
Sep 17, 2015
- Fix broken OpenCL detection · b92edd55
  Szilárd Páll authored Sep 16, 2015
  b92edd55
Sep 16, 2015
- Fix OpenCL build · 6912382b
  Szilárd Páll authored Sep 15, 2015 and Mark Abraham committed Sep 16, 2015
  6912382b
Sep 15, 2015
- Detect incorrect cycle counting · 4dd6716e
  Berk Hess authored Sep 14, 2015
  4dd6716e
Sep 06, 2015
- Add GROMACS 5 paper to paper lists · 9e7f2b6e
  Mark Abraham authored Aug 28, 2015
  9e7f2b6e
Sep 02, 2015
- Avoid integer overflow in gmx_wham by using gmx_int64_t. · 25caae8d
  Béla Voß authored Aug 27, 2015
  25caae8d
Aug 19, 2015
- Harden FindSphinx.cmake · f10f1081
  Mark Abraham authored Aug 19, 2015
  f10f1081
Aug 18, 2015
- Fix for expanded ensemble. · 245c8862
  Michael Shirts authored Aug 17, 2015
  245c8862
Aug 14, 2015
- Bump patch version to prepare for 5.1.1 · 5880df1d
  Mark Abraham authored Aug 14, 2015
  5880df1d
- 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