Commits · v4.5 · googyer / GROMACS · GitLab

Sep 01, 2010
- New release: 4.5 (final). Yay!!! · ed0da69e
  Rossen Apostolov authored Sep 01, 2010
  
  View commits for tag v4.5 v4.5
  ed0da69e
- Removed lots of unnecessary messages to stdout from g_hbond · a88261f9
  Erik Lindahl authored Sep 01, 2010
  
  a88261f9
- Added Gerrit to the list of authors. Sorry for forgetting you Gerrit :-) · 39d041d2
  Erik Lindahl authored Sep 01, 2010
  
  39d041d2
- Added g_rmsdist and g_rotmat to the CMake build system · 74943729
  Rossen Apostolov authored Sep 01, 2010
  
  74943729
- Shared libraries off by default on Windows. · 84e755ed
  Sander Pronk authored Sep 01, 2010
  
  84e755ed
- Fixed make_edi when no fitting was done in g_covar · 5bdbdae1
  Carsten Kutzner authored Sep 01, 2010
  
  5bdbdae1
- Added support for PGI atomics in thread_mpi. · f1c98308
  Sander Pronk authored Sep 01, 2010
  
  f1c98308
- Updated list of supported GPUs · e6e57271
  Szilard Pall authored Sep 01, 2010
  
  e6e57271
- Formatting fixes to documentation · 90094747
  Mark Abraham authored Sep 01, 2010
  
  90094747
- Final thread_mpi fixes (ppc works, no deadlocks on any system). · 9c612ef4
  Sander Pronk authored Sep 01, 2010
  
  9c612ef4
- Merge branch 'release-4-5-patches' of git.gromacs.org:gromacs into release-4-5-patches · b7dc66c0
  Mark Abraham authored Sep 01, 2010
  
  b7dc66c0
- make_opt.html now doesn't use <h4>, rather it uses <b>. This makes things more... · 99b894ae
  Mark Abraham authored Sep 01, 2010
  99b894ae
- General fixes · d285b3a0
  Mark Abraham authored Sep 01, 2010
  
  d285b3a0
- Small update of the GPU related documentation. · 640bb85e
  Rossen Apostolov authored Sep 01, 2010 and Mark Abraham committed Sep 01, 2010
  
  640bb85e
- Code reorg in thread_mpi · e33388a8
  Sander Pronk authored Sep 01, 2010 and Mark Abraham committed Sep 01, 2010
  
  e33388a8
- cleaner implementation of close_nblist with comments on the assembly kernel requirement · 17dfaaa4
  hess authored Sep 01, 2010
  
  17dfaaa4
- Small update of the GPU related documentation. · 783b53b6
  Rossen Apostolov authored Sep 01, 2010
  
  783b53b6
- Merge branch 'release-4-5-patches' of git.gromacs.org:gromacs into release-4-5-patches · 7d44adf1
  Rossen Apostolov authored Sep 01, 2010
  
  7d44adf1
- Code reorg in thread_mpi · ac7593ea
  Sander Pronk authored Sep 01, 2010
  
  ac7593ea
- Merge branch 'release-4-5-patches' of git.gromacs.org:gromacs into release-4-5-patches · 22760fcc
  Rossen Apostolov authored Sep 01, 2010
  
  22760fcc
Aug 31, 2010
- Made the options program for the latex manual compile again · f29ed89d
  Erik Lindahl authored Aug 31, 2010
  
  f29ed89d
- Fixed typo in src/contrib/Makefile.am · cb44bc9d
  Erik Lindahl authored Aug 31, 2010
  
  cb44bc9d
- Merge branch 'release-4-5-patches' of git.gromacs.org:gromacs into release-4-5-patches · 48158730
  Rossen Apostolov authored Aug 31, 2010
  
  48158730
- Fixed incorrect call to gmx_finalize() in gmx_pme_error() · e13ae78d
  Erik Lindahl authored Aug 31, 2010
  
  e13ae78d
- Added final newline to avoid compiler warning in sfactor.h · ece08cb7
  Erik Lindahl authored Aug 31, 2010
  
  ece08cb7
- OpenMM now accepts cut-off method, since it's needed for implicit solvent calculations. · 589dba5b
  Rossen Apostolov authored Aug 31, 2010
  
  589dba5b
- Merge branch 'release-4-5-patches' of git.gromacs.org:gromacs into release-4-5-patches · 8570cb38
  Erik Lindahl authored Aug 31, 2010
  
  8570cb38
- Added Cpack support · bbc612e5
  Erik Lindahl authored Aug 31, 2010
  
  bbc612e5
- Merge branch 'release-4-5-patches' of git.gromacs.org:gromacs into release-4-5-patches · 9a3d7410
  Sander Pronk authored Aug 31, 2010
  
  9a3d7410
- Fixed memory ordering issue on ppc with gcc&xlc. · 63811665
  Sander Pronk authored Aug 31, 2010
  
  63811665
- Merge branch 'release-4-5-patches' of git://git.gromacs.org/gromacs into release-4-5-patches · f9ca79ed
  Szilard Pall authored Aug 31, 2010
  
  f9ca79ed
- Improved option disabling on switching to OpenMM build in a non-clean build tree · 7a57120e
  Szilard Pall authored Aug 31, 2010
  7a57120e
- fixed/improved cmake FFTW3 detection · 47256ce1
  Szilard Pall authored Aug 31, 2010
  
  47256ce1
- thread_mpi fixes: gcc works on power7, xlc still does not.. · 5a21b5fe
  Sander Pronk authored Aug 31, 2010
  
  5a21b5fe
- Removed leftover debug message from openmm_wrapper · a0489ee1
  Szilard authored Aug 31, 2010
  
  a0489ee1
- Fixed CMake libxml2 detection. · 0cf9e7cb
  Teemu Murtola authored Aug 31, 2010
  
  0cf9e7cb
- avoided creation of neighborlists without j-particles · f79104a9
  Berk Hess authored Aug 31, 2010
  
  f79104a9
- Added label writing capability to editconf when used with an index file · 3a632b68
  Erik Lindahl authored Aug 31, 2010
  
  3a632b68
- Added check for <2 frames when autocorrelation is requested in g_hbond() · e144cd50
  Erik Lindahl authored Aug 31, 2010
  
  e144cd50
- Moved buggy and unsupported g_sdf to contrib directory and removed its... · f4d5cefe
  Erik Lindahl authored Aug 31, 2010
  f4d5cefe