Commits · v4.6 · googyer / GROMACS · GitLab

Jan 19, 2013
- Fix AVX double compile error · d1b7ac7c
  Roland Schulz authored Jan 19, 2013
  View commits for tag v4.6 v4.6
  d1b7ac7c
Jan 18, 2013
- New major release: 4.6 · bb6ea98c
  Mark Abraham authored Jan 16, 2013
  bb6ea98c
- Addendum for expanded ensemble options plus formatting fixes. · 0eff4b08
  Michael Shirts authored Jan 16, 2013
  0eff4b08
- Merge release-4-5-patches into release-4-6 · 8219893f
  Roland Schulz authored Jan 18, 2013
  8219893f
- Fix typo · 846c1a88
  Roland Schulz authored Jan 18, 2013
  846c1a88
- Code beautification with uncrustify · 3339ffd6
  Roland Schulz authored Jan 17, 2013
  3339ffd6
- Add colon after macro to help uncrustify · 66ff3d6e
  Roland Schulz authored Jan 18, 2013
  66ff3d6e
- thread affinity now uses some topology information · 4bebcd8f
  Berk Hess authored Jan 15, 2013
  4bebcd8f
- Fixing copyright issues and code contributors · 95761d63
  Mark Abraham authored Jan 16, 2013
  95761d63
- Merge "remove unnecessary cmake messages" into release-4-6 · 19bbbf6d
  Erik Lindahl authored Jan 18, 2013
  
  19bbbf6d
- Merge "fix OpenMP detection on Mac OS broken by a6fee0ba " into release-4-6 · 24ff3ced
  Erik Lindahl authored Jan 18, 2013
  
  24ff3ced
- Fix reading of g96 title · 2bb71183
  Roland Schulz authored Jan 18, 2013
  2bb71183
- remove unnecessary cmake messages · 950d9336
  Szilard Pall authored Jan 18, 2013
  950d9336
- fix OpenMP detection on Mac OS broken by a6fee0ba · 714960e2
  Szilárd Páll authored Jan 17, 2013
  714960e2
Jan 17, 2013
- Updating the shell completion files · a515dbd3
  Mark Abraham authored Jan 16, 2013
  a515dbd3
- Gromacs install guide updates. · 7b65a31f
  Mark Abraham authored Jan 16, 2013
  7b65a31f
- Merge "Remove unnecessary ICC flags affecting performance" into release-4-6 · c9db64f5
  Mark Abraham authored Jan 17, 2013
  
  c9db64f5
- Merge "improved CUDA kernel performance by pre-loading cj" into release-4-6 · f3770e5f
  Mark Abraham authored Jan 17, 2013
  
  f3770e5f
- Merge "Added note about make_edi and flooding in ED paragraph" into release-4-6 · 3cdd961b
  Christoph Junghans authored Jan 17, 2013
  
  3cdd961b
- Merge "use the compiler version provided by CMake >=2.8.9" into release-4-6 · 353ddbee
  Christoph Junghans authored Jan 17, 2013
  
  353ddbee
- Merge "Merge branch 'release-4-5-patches' into release-4-6" into release-4-6 · e5819540
  Roland Schulz authored Jan 17, 2013
  
  e5819540
- Merge changes I930b316c,Iea4283e0,I103648f8 into release-4-6 · 2b32d17e
  Szilárd Páll authored Jan 17, 2013
  2b32d17e
- Remove unnecessary ICC flags affecting performance · 6c45135f
  Roland Schulz authored Jan 17, 2013 and Erik Lindahl committed Jan 17, 2013
  6c45135f
- Merge "Fix trjconv -sub with .trr files" into release-4-5-patches · bd276b34
  Mark Abraham authored Jan 17, 2013
  
  bd276b34
- BlueGene/Q installation notes · 328cdae0
  Mark Abraham authored Dec 19, 2012
  328cdae0
- Merge branch 'release-4-5-patches' into release-4-6 · 220f03d9
  Mark Abraham authored Jan 17, 2013
  220f03d9
- Merge "note the reason for auto-disabling GPU support in CMake" into release-4-6 · 5eac1941
  Christoph Junghans authored Jan 17, 2013
  
  5eac1941
- Merge "Added mdp option 'calc-lambda-neighbors'." into release-4-6 · 0ca3a4a5
  Mark Abraham authored Jan 17, 2013
  
  0ca3a4a5
- Merge "clarify wording of GPU driver-related notes" into release-4-6 · 12d68dfd
  Roland Schulz authored Jan 17, 2013
  
  12d68dfd
- Merge "Added check for valid wall_atomtype in .mdp" into release-4-5-patches · ea590d49
  Roland Schulz authored Jan 17, 2013
  
  ea590d49
- Fix trjconv -sub with .trr files · 372187d7
  Mark Abraham authored Jan 15, 2013
  372187d7
- fixed SD+BD integration slowing down with OpenMP threads · d120c370
  Berk Hess authored Jan 17, 2013
  d120c370
- Run regressiontests from build · 2b626bd5
  Roland Schulz authored Dec 22, 2012
  2b626bd5
- improved CUDA kernel performance by pre-loading cj · a2fc27af
  Berk Hess authored Jan 12, 2013
  a2fc27af
- Added mdp option 'calc-lambda-neighbors'. · 46bc0def
  Sander Pronk authored Jan 15, 2013
  46bc0def
- Fixes to free energy code, output & g_bar compatibility. · 23eb71d1
  Sander Pronk authored Jan 10, 2013
  23eb71d1
- Added note about make_edi and flooding in ED paragraph · b933bdb8
  Carsten authored Jan 17, 2013
  b933bdb8
- use the compiler version provided by CMake >=2.8.9 · f8885a64
  Szilárd Páll authored Jan 17, 2013
  f8885a64
- note the reason for auto-disabling GPU support in CMake · 044ebce8
  Szilárd Páll authored Jan 16, 2013
  044ebce8
- clarify wording of GPU driver-related notes · 5fd118d8
  Szilárd Páll authored Jan 17, 2013
  5fd118d8