Commits · v5.0.5 · jooooow / GROMACS

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May 13, 2015
- Version 5.0.5 · 33467fd9
  Mark Abraham authored May 06, 2015
  View commits for tag v5.0.5 v5.0.5
  33467fd9
- Fix segv in g_covar · 34ef2b1b
  Berk Hess authored May 13, 2015
  34ef2b1b
- Fix auto-downloaded regression test execution · 9ed77a1b
  Szilárd Páll authored May 11, 2015
  9ed77a1b
- Facilitate linking of static binaries · 88fda475
  Roland Schulz authored Mar 16, 2015
  88fda475
May 12, 2015
- Fix uninitialized fields in grompp t_state · 9fbe7e5b
  Mark Abraham authored May 11, 2015
  9fbe7e5b
- Added a note about sc-coul being auto turned on. · 262bf922
  Rossen Apostolov authored Jun 12, 2014 and Mark Abraham committed May 12, 2015
  262bf922
May 11, 2015
- Work around gcc 5 warnings with Google Test · 7b2b6ff3
  Mark Abraham authored May 07, 2015
  7b2b6ff3
- Changed FFTW warning from AVX to no SSE · d33720e6
  Berk Hess authored May 07, 2015
  d33720e6
May 06, 2015
- Fixed recently-introduced couple-lambda warning message · 7d62d8f6
  Mark Abraham authored May 04, 2015
  7d62d8f6
- Merge "Merge release-4-6 into release-5-0" into release-5-0 · 0af50fb6
  Szilárd Páll authored May 06, 2015
  
  0af50fb6
- Fix SIMD unit tests on BG/Q · a8293ff1
  Mark Abraham authored Mar 23, 2015
  a8293ff1
May 05, 2015
- Merge release-4-6 into release-5-0 · 6b32c7f4
  Mark Abraham authored May 06, 2015
  6b32c7f4
- Avoid rounding errors affecting results in one test · f42a9e9a
  Teemu Murtola authored Apr 30, 2015
  f42a9e9a
- Fix for trjconv preserving box dimensions. · 28e289ba
  Justin Lemkul authored Sep 03, 2014
  28e289ba
May 04, 2015
- Fixed GPU non-local F copy local conditional · fc8a5624
  Berk Hess authored Apr 30, 2015
  fc8a5624
Apr 30, 2015
- Fix error handling in gmx_tmpnam · 95c7de01
  Olivier Fisette authored Apr 26, 2015
  95c7de01
- Fix for rarely occuring replica exchange error. · 3e1fc90f
  Michael Shirts authored Mar 03, 2015
  3e1fc90f
Apr 28, 2015
- Re-enabled FMA for AVX-128-FMA · ce772452
  Berk Hess authored Apr 28, 2015
  ce772452
Apr 17, 2015
- Correct -ntmpi auto for intel nehalem and older · 54ac4012
  Berk Hess authored Apr 16, 2015
  54ac4012
Apr 09, 2015
- Clarified comments for time-dependent electric fields. · 3990ef13
  David van der Spoel authored Apr 09, 2015
  3990ef13
Apr 08, 2015
- Fixed incorrect output of gb_algorith as sa_algorithm. · a81810e2
  David van der Spoel authored Apr 08, 2015
  a81810e2
Apr 01, 2015
- Corrected force-switch manual section · 0d30d97c
  Berk Hess authored Sep 29, 2014
  0d30d97c
Mar 19, 2015
- Made error message more generic · 0bec9228
  Mark Abraham authored Mar 18, 2015
  0bec9228
Mar 17, 2015
- Fix linking with static libxml2 · 94a2a8ae
  Roland Schulz authored Mar 16, 2015
  94a2a8ae
Mar 05, 2015
- Fix Andersen thermostats · 9c59bc70
  Mark Abraham authored Mar 03, 2015
  9c59bc70
Feb 24, 2015
- The test for HAVE_CXX11_REGEX fails since it doesn't use any -std=c++11 flag. · 673420a4
  Åke sandgren authored Feb 18, 2015 and Mark Abraham committed Feb 24, 2015
  673420a4
- Checks should use correct CMAKE_REQUIRED_ variables · 57cf263f
  Åke sandgren authored Feb 18, 2015 and Mark Abraham committed Feb 24, 2015
  57cf263f
Feb 14, 2015
- gmx hbond no longer removes PBC when none is present · aa1cfd57
  Erik Marklund authored Jan 06, 2015
  aa1cfd57
Feb 12, 2015
- Fix removal of symlinks created during installation · f39f90fa
  Vedran Miletić authored Feb 01, 2015
  f39f90fa
- Merge release-4-6 into release-5-0 · 6a96cf23
  Roland Schulz authored Feb 12, 2015
  6a96cf23
- Re-fixed PME bug with high OpenMP thread count · c0602644
  Berk Hess authored Feb 06, 2015
  c0602644
Feb 04, 2015
- Correct CUDA kernel energy flag · 42bb5b30
  Berk Hess authored Feb 02, 2015
  42bb5b30
Feb 02, 2015
- Avoid near-silent generation of zero energies · 587c6292
  Mark Abraham authored Jan 23, 2015
  587c6292
- Fix use of simd.h · 3df2b06e
  Mark Abraham authored Jan 19, 2015
  3df2b06e
Jan 23, 2015
- Update FindCUDA work-around · cddea8e8
  Mark Abraham authored Jan 23, 2015
  cddea8e8
Jan 21, 2015
- Corrected RDTSCP warning text · d16cf107
  Berk Hess authored Jan 21, 2015
  d16cf107
Jan 16, 2015
- Fix BlueGene/Q build with recent CMake · d2580e08
  Mark Abraham authored Jan 05, 2015
  d2580e08
Jan 15, 2015
- Fix allocation issue with VV integrator · 78ae40d4
  Berk Hess authored Jan 12, 2015
  78ae40d4
Jan 14, 2015
- Fix and suppress warnings on BlueGene/Q · 84cf8a8f
  Mark Abraham authored Dec 09, 2014
  84cf8a8f
Jan 08, 2015
- Handle ivec* correctly in DD error message · 5e258be1
  Mark Abraham authored Jan 08, 2015
  5e258be1