Commits · v5.0-rc1 · googyer / GROMACS

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Apr 07, 2014
- Doxygen documentation for version.h · 49a43a6c
  Teemu Murtola authored Apr 01, 2014
  View commits for tag v5.0-rc1 v5.0-rc1
  49a43a6c
Apr 04, 2014
- Remove ancient SGI-specific code · d51b403e
  Teemu Murtola authored Apr 04, 2014
  d51b403e
- Clean up gmx_fatal.* · 086eb662
  Teemu Murtola authored Apr 04, 2014
  086eb662
Apr 03, 2014
- Move string-parsing code to where it can be reused · 95bbad7d
  Mark Abraham authored Mar 31, 2014
  95bbad7d
Apr 02, 2014
- Add doc for spec. values of GMX_MAXBACKUP · 8efb0271
  Roland Schulz authored Apr 01, 2014
  8efb0271
- Removed possibility of compiling with GSL. · b5daddfb
  David van der Spoel authored Feb 07, 2014
  b5daddfb
- Move string2.* to utility/cstringutil.* · 2ca0f555
  Teemu Murtola authored Apr 01, 2014
  2ca0f555
- Fixes for g_tune_pme for 5.0 · f82f8a07
  Mark Abraham authored Mar 31, 2014
  f82f8a07
- Fix bug accumulating nrank_pp_intranode on PME ranks · 0870f68b
  Mark Abraham authored Mar 31, 2014
  0870f68b
- Added LJ-PME and LJ Pot-switch to PME load estimate · a6ae71b2
  Berk Hess authored Dec 03, 2013
  a6ae71b2
- Re-use gmx_greatest_common_divisor() · 6808fe0a
  Mark Abraham authored Mar 31, 2014
  6808fe0a
Apr 01, 2014
- Move smalloc.h to utility/ · d3ac3c5b
  Teemu Murtola authored Mar 31, 2014
  d3ac3c5b
Mar 31, 2014
- Remove #include <...> for local files in gmx-view · 6f4c4ded
  Teemu Murtola authored Mar 31, 2014 and Mark Abraham committed Mar 31, 2014
  6f4c4ded
- Fixed compilation issue in fgrid.cpp due to int/enum · 1abeea5e
  David van der Spoel authored Mar 31, 2014
  1abeea5e
- Remove quote · b5dd48f8
  Mark Abraham authored Mar 31, 2014
  b5dd48f8
- Added CMake support for Extrae. · a9cab520
  Rossen Apostolov authored Mar 05, 2014
  a9cab520
- Clean up smalloc.h · f23138b5
  Teemu Murtola authored Mar 30, 2014
  f23138b5
- Fix documentation of swap/enums.h · ea9efdad
  Carsten authored Mar 28, 2014
  ea9efdad
- Move some math headers away from legacyheaders/ · be60f80a
  Teemu Murtola authored Mar 27, 2014 and Erik Lindahl committed Mar 31, 2014
  be60f80a
- Disable shared libraries by default for mdrun-only · e0fbd001
  Roland Schulz authored Mar 06, 2014
  e0fbd001
- Remove dependency on commandline/ from oenv.cpp · 37877b72
  Teemu Murtola authored Mar 27, 2014
  37877b72
Mar 30, 2014
- Clean up string2.h-related includes · 204f520c
  Teemu Murtola authored Mar 29, 2014
  204f520c
Mar 29, 2014
- Free-energy support for LJ-PME · 5f59569a
  Christian Wennberg authored Mar 11, 2014
  5f59569a
- Optimize intermodule dependencies · d873b7de
  Teemu Murtola authored Mar 26, 2014
  d873b7de
- Improve version information handling · 15b8a9dc
  Teemu Murtola authored Mar 26, 2014
  15b8a9dc
- Better include dependency graph generator · 8f346173
  Teemu Murtola authored Mar 22, 2014
  8f346173
Mar 28, 2014
- Fix documentation issues for interactive MD module. · e92061ff
  Carsten authored Mar 28, 2014
  e92061ff
- New VDW kernel flavour for LJ-PME and updated group kernels · b875ad12
  Christian Wennberg authored Dec 13, 2013
  b875ad12
Mar 27, 2014
- Move include dependency checks to doc-check · d7422576
  Teemu Murtola authored Mar 20, 2014
  d7422576
- Better automated Doxygen documentation checker · 8417f288
  Teemu Murtola authored Mar 03, 2014
  8417f288
- Misc. Doxygen fixes · 3327fa99
  Teemu Murtola authored Mar 25, 2014
  3327fa99
- Move thread_mpi to src/external/ · 8c1a0b04
  Teemu Murtola authored Mar 25, 2014
  8c1a0b04
Mar 26, 2014
- Fix use of inline in IMD · 77204c0a
  Mark Abraham authored Mar 26, 2014
  77204c0a
- Add Cray compiler support · b1b68dab
  Daniel Landau authored Mar 24, 2014
  b1b68dab
- Documentation house-keeping in file swapcoords.c · 6cd2761a
  Carsten authored Mar 25, 2014
  6cd2761a
- Interactive Molecular Dynamics (IMD) · 8289f698
  Martin Hoefling authored Jun 07, 2012
  8289f698
Mar 24, 2014
- Remove gmxpreprocess from include path · 13350954
  Teemu Murtola authored Mar 24, 2014
  13350954
Mar 23, 2014
- Keep CMake quiet about non-detection of optional stuff · ef197faf
  Mark Abraham authored Mar 22, 2014
  ef197faf
- Merge branch release-4-6 · a1a2efae
  Mark Abraham authored Mar 23, 2014
  a1a2efae
- Fixed bug in parallel v/f constraining · b58afa7e
  Berk Hess authored Mar 17, 2014
  b58afa7e