Commits · v5.0-beta1 · Annajiat Alim Rasel / GROMACS

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Dec 05, 2013
- Fix administrivia · 4c7c2165
  Mark Abraham authored Dec 01, 2013
  View commits for tag v5.0-beta1 v5.0-beta1
  4c7c2165
Dec 04, 2013
- Fix test build with GMX_BUILD_MDRUN_ONLY · 5706b621
  Teemu Murtola authored Dec 04, 2013
  5706b621
Dec 03, 2013
- Removed restriction of one reference pull group · cc819af8
  Berk Hess authored Nov 26, 2013
  cc819af8
Dec 02, 2013
- remove legacy CUDA non-bonded kernels · 2c0c359c
  Szilárd Páll authored Dec 01, 2013
  2c0c359c
- Made cutoff-scheme=Verlet the default · f9cd4ae7
  Berk Hess authored Dec 02, 2013 and Mark Abraham committed Dec 02, 2013
  f9cd4ae7
- Renamed verlet-buffer-drift to verlet-buffer-tolerance · a792ba2f
  Berk Hess authored Nov 27, 2013 and Mark Abraham committed Dec 02, 2013
  a792ba2f
- Merge "Merge branch 'release-4-6'" · 5b996fa8
  Roland Schulz authored Dec 02, 2013
  
  5b996fa8
- Calculating LJ-interactions using Particle mesh Ewald · 1c4ab8dc
  Christian Wennberg authored Oct 09, 2013
  1c4ab8dc
- Merge branch 'release-4-6' · 69ed86b6
  Mark Abraham authored Dec 02, 2013
  69ed86b6
- Remove remaining uses of programs.txt · 493a9c5e
  Teemu Murtola authored Nov 27, 2013
  493a9c5e
- Uniform behavior for 'make man' and 'make html' · 2f14f668
  Teemu Murtola authored Nov 25, 2013
  2f14f668
- Fix [CHEVRON]/[chevron] for HTML output · 53801dab
  Teemu Murtola authored Dec 01, 2013
  53801dab
- Replace SUM_SIMD with gmx_sum_simd · 5f643c73
  Roland Schulz authored Nov 14, 2013
  5f643c73
Dec 01, 2013
- Remove GMX_DOUBLE from config.h · 08fb89b2
  Teemu Murtola authored Nov 27, 2013
  08fb89b2
- Don't install headers depending on GMX_INTERNAL_XDR · c0eea94a
  Teemu Murtola authored Nov 26, 2013
  c0eea94a
- Document how to add C++ tools · 76d67cbf
  Teemu Murtola authored Oct 31, 2013
  76d67cbf
- Fix scope and naming of some variables · db43cb0e
  Mark Abraham authored Nov 29, 2013
  db43cb0e
- Turn on -Wunused-parameter where applicable · ad69f9f4
  Mark Abraham authored Oct 29, 2013
  ad69f9f4
- Fixed zero hardware thread count · 15326145
  Berk Hess authored Nov 28, 2013
  15326145
- Adjust more copyright headers · 8a7cde1d
  Teemu Murtola authored Nov 30, 2013
  8a7cde1d
Nov 30, 2013
- Fix -Wstrict-overflow in domdec.c · 3a66325f
  Alexey Shvetsov authored Nov 29, 2013
  3a66325f
- Add machinery for integration tests · 60113a2d
  Mark Abraham authored Sep 27, 2013
  60113a2d
Nov 29, 2013
- Created SIMD module · 43cb80ae
  Berk Hess authored Apr 12, 2013
  43cb80ae
- Remove unused config.h defines · 9f339e8b
  Teemu Murtola authored Nov 27, 2013
  9f339e8b
- Remove obsolete FindGit.cmake · 7ba9302e
  Teemu Murtola authored Nov 28, 2013
  7ba9302e
- Make help texts refer to gmx-something · 260a3b44
  Teemu Murtola authored Nov 23, 2013
  260a3b44
Nov 28, 2013
- Move gmx_omp.* into src/gromacs/utility/ · 9e6f6ca4
  Teemu Murtola authored Nov 22, 2013
  9e6f6ca4
- Updated to gmock-1.7.0 · 795da2b2
  Rossen Apostolov authored Nov 26, 2013
  795da2b2
- Generate gromacs.7 from the wrapper binary · 3f495657
  Teemu Murtola authored Nov 25, 2013
  3f495657
- Fix some #include problems. · 9dee9913
  Teemu Murtola authored Oct 29, 2013 and Mark Abraham committed Nov 28, 2013
  9dee9913
- Remove IMD manual section · 8d674c30
  Mark Abraham authored Nov 27, 2013
  8d674c30
- Uniform headers in HTML pages · 3676eb71
  Teemu Murtola authored Nov 19, 2013
  3676eb71
Nov 27, 2013
- Remove unused gmx_membed.c · 86601a23
  Teemu Murtola authored Nov 23, 2013
  86601a23
- Fix strange character in manual · b886d063
  Mark Abraham authored Nov 27, 2013
  b886d063
Nov 26, 2013
- Fixed return value of gmx_mtop_bondeds_free_energy · 99f228b0
  Berk Hess authored Nov 25, 2013 and Mark Abraham committed Nov 26, 2013
  99f228b0
- Remove #ifdef GMX_THREAD_MPI for basic thread safety. · cb6f4849
  Teemu Murtola authored Sep 14, 2013
  cb6f4849
- Moved gromos87 writing code into fileio module · 613cbc9b
  Mark Abraham authored Nov 24, 2013
  613cbc9b
- Add license for Sun XDR routines · 33b66f8a
  Mark Abraham authored Nov 24, 2013
  33b66f8a
Nov 20, 2013
- Update copyright headers in kernels. · 145a3d64
  Teemu Murtola authored Oct 11, 2013
  145a3d64
- Update copyright headers in generated kernels. · 6a6830c2
  Teemu Murtola authored Oct 11, 2013
  6a6830c2