Commits · v2016 · M. Eric Irrgang / GROMACS

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Aug 04, 2016
- Version 2016 · ebf2a5f7
  Mark Abraham authored Aug 03, 2016
  View commits for tag v2016 v2016
  ebf2a5f7
- Fix/improve doc links in template/README · c33e10f7
  Teemu Murtola authored Aug 04, 2016
  c33e10f7
Aug 03, 2016
- Three new quotes. · c2d54d67
  David van der Spoel authored Aug 02, 2016 and Mark Abraham committed Aug 03, 2016
  c2d54d67
- Use only legal characters in OpenCL cache filename · 2defd44a
  Vedran Miletić authored Jul 12, 2016 and Mark Abraham committed Aug 03, 2016
  2defd44a
Jul 31, 2016
- Merge "Merge branch release-5-1 into release-2016" into release-2016 · 0722e465
  David van der Spoel authored Jul 31, 2016
  
  0722e465
Jul 30, 2016
- Document gmx_cgsort_t and gmx_domdec_sort_t structs · f7a4354b
  Vedran Miletić authored Jul 27, 2016 and Erik Lindahl committed Jul 30, 2016
  f7a4354b
Jul 29, 2016
- Improve handling of gmock and gcc6 · 398305ea
  Mark Abraham authored Jul 29, 2016
  398305ea
- Merge branch release-5-1 into release-2016 · eb5040f2
  Mark Abraham authored Jul 29, 2016
  eb5040f2
- Fixes incorrect charges in OPLS/AA-L for HISD and HISE · 1a60bdbf
  David van der Spoel authored Jul 22, 2016 and Mark Abraham committed Jul 29, 2016
  1a60bdbf
Jul 28, 2016
- Add toolchain flags for SSE2 compilation · 98977212
  Mark Abraham authored Jul 28, 2016
  98977212
Jul 21, 2016
- Bumped patch number to prepare for future 5.1.4 release · ad3d3c8b
  Mark Abraham authored Jul 21, 2016
  ad3d3c8b
Jul 14, 2016
- Fix issues with using int for number of steps · 7f2e942d
  Mark Abraham authored Jul 14, 2016
  7f2e942d
Jul 13, 2016
- Version 5.1.3 · 01db2c57
  Mark Abraham authored Jul 13, 2016
  View commits for tag v5.1.3 v5.1.3
  01db2c57
Jul 12, 2016
- Fix trr magic number reading · f7d4d019
  Mark Abraham authored Jul 12, 2016
  f7d4d019
Jul 11, 2016
- Fix gmx mdrun -membed -ntmpi -1 · d714741d
  Mark Abraham authored Jul 11, 2016
  d714741d
- Fix membed with partial revert of 29943f · 98d6c26b
  Erik Lindahl authored Jul 09, 2016 and Mark Abraham committed Jul 11, 2016
  98d6c26b
- Fix for incorrectly setting expanded ensemble when fep_state = 0 · a41f7351
  Michael Shirts authored Jun 26, 2016 and Mark Abraham committed Jul 11, 2016
  a41f7351
- Fix regressiontest download md5sum · b78ab26b
  Mark Abraham authored Jul 11, 2016
  View commits for tag v2016-rc1 v2016-rc1
  b78ab26b
Jul 09, 2016
- First 2016 release candidate · 32031867
  Mark Abraham authored Jun 23, 2016
  32031867
- Hardware detection clean-up and pre/post-processing · 6d99d7ea
  Erik Lindahl authored Jul 07, 2016 and Mark Abraham committed Jul 09, 2016
  6d99d7ea
- Prevent fragile use cases of checkpoint appending · 07d12095
  Erik Lindahl authored May 25, 2016
  07d12095
Jul 08, 2016
- Update affinity checking for Intel compiler · 14ed2ccd
  Erik Lindahl authored Jul 07, 2016 and Erik Lindahl committed Jul 08, 2016
  14ed2ccd
- Print working dir before command line · 1726c626
  Vedran Miletić authored Jul 06, 2016 and David van der Spoel committed Jul 08, 2016
  1726c626
- Merge "Merge branch release-5-1 into release-2016" into release-2016 · 156562e0
  David van der Spoel authored Jul 08, 2016
  
  156562e0
- Updated g_wham for the new pull setup · 9aef7701
  Jochen Hub authored Dec 11, 2014 and Mark Abraham committed Jul 08, 2016
  9aef7701
- Merge branch release-5-1 into release-2016 · 61227458
  Mark Abraham authored Jul 08, 2016
  61227458
- Introduce fatal error for too few frames in gmx dos. · 2a1052e2
  David van der Spoel authored Jul 08, 2016 and Mark Abraham committed Jul 08, 2016
  2a1052e2
- Simplify SIMD compiler flag construction · deef4d6e
  Mark Abraham authored May 25, 2016
  deef4d6e
- Add detection for ARMv7 cycle counter support · 0d4ea603
  Erik Lindahl authored Jul 07, 2016 and Mark Abraham committed Jul 08, 2016
  0d4ea603
- Work around compiler issue with random test · fa1d62c6
  Erik Lindahl authored Jul 08, 2016
  fa1d62c6
- Add PDF metadata to the manual · 55c3a19d
  Szilárd Páll authored Apr 01, 2016 and Erik Lindahl committed Jul 08, 2016
  55c3a19d
- User guide clarifications · a041267f
  Szilárd Páll authored Jul 05, 2016 and David van der Spoel committed Jul 08, 2016
  a041267f
Jul 07, 2016
- Reduce hwloc & cpuid test requirements · 0a7428cf
  Erik Lindahl authored Jul 05, 2016 and Erik Lindahl committed Jul 08, 2016
  0a7428cf
- Move consistency check for number of threads · 13d0bbcf
  Mark Abraham authored Jul 04, 2016
  13d0bbcf
- Change handling for missing releng docs · fef65292
  Teemu Murtola authored Jul 06, 2016 and Erik Lindahl committed Jul 07, 2016
  fef65292
- Add user guide info on CUDA application clocks · 72ed575f
  Szilárd Páll authored Jul 05, 2016 and Erik Lindahl committed Jul 07, 2016
  72ed575f
- Fix build if libcuda is found but nvcc is not · 92ab334f
  Mark Abraham authored Jul 04, 2016 and Erik Lindahl committed Jul 07, 2016
  92ab334f
- Relax pull PBC check · 3dfdadb8
  Berk Hess authored Jun 21, 2016 and David van der Spoel committed Jul 07, 2016
  3dfdadb8
Jul 05, 2016
- Document GMX_GPU_APPLICATION_CLOCKS · a42e9487
  Szilárd Páll authored Jul 05, 2016
  a42e9487
- Add checks for too much memory in g_nmeig · dd45357a
  Berk Hess authored Jul 05, 2016
  dd45357a