Commits · v2016-beta2 · jooooow / GROMACS

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May 31, 2016
- Second 2016 beta release · e83f0803
  Mark Abraham authored May 30, 2016
  View commits for tag v2016-beta2 v2016-beta2
  e83f0803
- Reposition nbnxn filler particles · aa2ed120
  Berk Hess authored May 27, 2016 and Mark Abraham committed May 31, 2016
  aa2ed120
- Avoid numerical overflow with overlapping atoms · fcc7c4c4
  Berk Hess authored May 25, 2016 and Mark Abraham committed May 31, 2016
  fcc7c4c4
- Add check for finite energies · 41833007
  Berk Hess authored May 26, 2016 and Mark Abraham committed May 31, 2016
  41833007
May 30, 2016
- Add grompp check for unbound atoms · 3c6ba9c7
  Berk Hess authored May 28, 2016 and David van der Spoel committed May 30, 2016
  3c6ba9c7
May 29, 2016
- Simplified and updated OpenCL compilation · b08ab12c
  Mark Abraham authored Feb 05, 2016 and Erik Lindahl committed May 29, 2016
  b08ab12c
May 28, 2016
- Fix build with clang 3.1+3.2 · d1e82350
  Roland Schulz authored May 26, 2016 and Mark Abraham committed May 28, 2016
  d1e82350
May 27, 2016
- Detect the usage of hwtop XML caching · 57b5e5a4
  Erik Lindahl authored May 22, 2016 and Roland Schulz committed May 27, 2016
  57b5e5a4
May 26, 2016
- New quote · 08ccff06
  Mark Abraham authored May 26, 2016
  08ccff06
May 23, 2016
- Fix bug in v-rescale thermostat & replica exchange · 3a9e67dd
  Berk Hess authored May 23, 2016 and Erik Lindahl committed May 24, 2016
  3a9e67dd
May 21, 2016
- Disable automated FFTW3 builds on Windows · 3901dc90
  Erik Lindahl authored May 17, 2016 and Mark Abraham committed May 21, 2016
  3901dc90
May 17, 2016
- Add reference to TopoTools 1.6 · 7aa50e4b
  Roland Schulz authored May 13, 2016 and Mark Abraham committed May 17, 2016
  7aa50e4b
- Fix some thread affinity cases · dfd6f8f6
  Teemu Murtola authored May 15, 2016 and Mark Abraham committed May 17, 2016
  dfd6f8f6
May 13, 2016
- Don't use abort for fatal errors · 1c83c6c0
  Roland Schulz authored May 11, 2016 and Mark Abraham committed May 13, 2016
  1c83c6c0
May 12, 2016
- Merge branch release-5-1 into release-2016 · 7c0b3b79
  Mark Abraham authored May 13, 2016
  7c0b3b79
- GROMACS 2016 beta1 release · 7f0b47d0
  Mark Abraham authored May 10, 2016
  View commits for tag v2016-beta1 v2016-beta1
  7f0b47d0
- Remove static function qualifier in OpenCL kernel utils · 10913823
  Vedran Miletić authored May 11, 2016 and Mark Abraham committed May 12, 2016
  10913823
May 11, 2016
- Use STRLEN for buf · 51d0c257
  James W. Barnett authored May 11, 2016
  51d0c257
May 10, 2016
- Fixed large file issue on 32-bit platforms · acd1df19
  Erik Lindahl authored May 11, 2016
  acd1df19
- Additional Jenkins documentation · e7e35d31
  Teemu Murtola authored Apr 30, 2016 and Mark Abraham committed May 10, 2016
  e7e35d31
- Bump clang static analyzer to version 3.8 · 745e3d0b
  Mark Abraham authored Mar 30, 2016
  745e3d0b
- Minor update to sphinx dependency · f0e7a689
  Mark Abraham authored May 10, 2016
  f0e7a689
- Include releng documentation to developer guide · cb37bbb4
  Teemu Murtola authored Oct 03, 2015 and Mark Abraham committed May 10, 2016
  cb37bbb4
- Fix precision loss in tabulated normal distribution · d44d7d6b
  Erik Lindahl authored May 08, 2016 and Mark Abraham committed May 10, 2016
  d44d7d6b
- Facilitate linking with libcxx · 4ce2aa50
  Mark Abraham authored Mar 30, 2016
  4ce2aa50
- Flush streams when not writing newline character · 85d59d17
  Erik Lindahl authored May 08, 2016 and Mark Abraham committed May 10, 2016
  85d59d17
- Optimized the vsite threading · b7e4f30d
  Berk Hess authored Oct 22, 2015 and Mark Abraham committed May 10, 2016
  b7e4f30d
- Fix CUDA shmem bug · d5016710
  Berk Hess authored May 09, 2016 and Szilárd Páll committed May 10, 2016
  d5016710
- Add OpenMP for functions limiting scaling · 6d98622d
  Roland Schulz authored Dec 06, 2014 and Mark Abraham committed May 10, 2016
  6d98622d
- Support cmap with QMMM · b500f158
  Berk Hess authored Apr 18, 2016 and Gerrit Groenhof committed May 10, 2016
  b500f158
May 09, 2016
- Improved description for GPU/CPU time ratio · f8a70903
  Erik Lindahl authored May 08, 2016 and Berk Hess committed May 09, 2016
  f8a70903
May 08, 2016
- Fixes for clang 3.7 on PowerPC · 1b3be691
  Mark Abraham authored Mar 18, 2016
  1b3be691
- Correct and clarify output units for fluct_props · 8547f662
  James W. Barnett authored May 05, 2016 and Mark Abraham committed May 08, 2016
  8547f662
- Fix Luzar/Chander literature reference in g_hbond · de8850ec
  Erik Lindahl authored Apr 03, 2016 and Mark Abraham committed May 08, 2016
  de8850ec
- Fix constants, units and conversion factors · b45128ab
  Mark Abraham authored Apr 25, 2016 and David van der Spoel committed May 08, 2016
  b45128ab
- Modify lmfit library to avoid clashes with other versions. · c6cfc2c0
  David van der Spoel authored Dec 09, 2015 and Mark Abraham committed May 08, 2016
  c6cfc2c0
- Update mdrun termination info · 54733837
  Berk Hess authored Mar 16, 2016 and Erik Lindahl committed May 08, 2016
  54733837
- Support for OpenCL CI builds · d696fd92
  Teemu Murtola authored Mar 14, 2016
  d696fd92
May 06, 2016
- OpenMP parallelization for pull · a975d0c0
  Berk Hess authored Apr 14, 2016 and Szilárd Páll committed May 06, 2016
  a975d0c0
May 05, 2016
- Merge branch release-5-1 · 4f964e35
  Teemu Murtola authored May 05, 2016
  4f964e35