Commits · v5.0.1 · googyer / GROMACS · GitLab

Sep 05, 2014
- Version 5.0.1 · 2156b191
  Mark Abraham authored Sep 05, 2014
  View commits for tag v5.0.1 v5.0.1
  2156b191
Sep 04, 2014
- Add Mingw warnings · 2fc88eb9
  Roland Schulz authored Sep 03, 2014
  2fc88eb9
- K-computer specific modifications · e6aefab2
  Erik Lindahl authored Jul 30, 2014
  e6aefab2
- cmake: missing quote · a90ae4c9
  Christoph Junghans authored Sep 03, 2014
  a90ae4c9
Sep 03, 2014
- Fix MingW build · e8cba2b9
  Roland Schulz authored Aug 31, 2014
  e8cba2b9
- Fixed sc_power==48 crash in single precision · 412e2974
  Erik Lindahl authored Sep 02, 2014
  412e2974
- Fix mis-use of fabs in LAPACK · 0ab6c668
  Mark Abraham authored Aug 20, 2014
  0ab6c668
- More hacking to get the template to detect and build · b0f65ea0
  Mark Abraham authored Sep 02, 2014
  b0f65ea0
- Fix that TNG tests were not run · af78f4c5
  Roland Schulz authored Aug 28, 2014
  af78f4c5
- Fixed preprocessor error for AVX_128_FMA simd · 014e34a8
  Erik Lindahl authored Sep 02, 2014
  014e34a8
Sep 02, 2014
- Fix formatting of fatal errors in g_bar · 5aba10c4
  Erik Lindahl authored Jul 28, 2014
  5aba10c4
- Fix PRINT_ALLOC_KB output · bfd0962b
  Roland Schulz authored Aug 26, 2014
  bfd0962b
- TNG Fix for GMX_DOUBLE builds and where ZLIB is not available. · cc60fc96
  Magnus Lundborg authored Aug 26, 2014
  cc60fc96
- Fix data block length when uncompressing TNG data. · a2634494
  Magnus Lundborg authored Aug 29, 2014
  a2634494
- Fixed string var expansion in CMake due to CMP0053 · 05870ba8
  Erik Lindahl authored Sep 02, 2014
  05870ba8
Sep 01, 2014
- TNG: Handle large files on 32 bit systems. · f553883b
  Magnus Lundborg authored Aug 20, 2014
  f553883b
- Updated x-axis label for g_wham. · 1959feb3
  Justin Lemkul authored Aug 31, 2014
  1959feb3
- When writing TNG include file closing in wallcycle. · 86708434
  Magnus Lundborg authored Jul 15, 2014
  86708434
- Fix and document issues with template.cpp · 88dc658b
  Mark Abraham authored Jul 04, 2014
  88dc658b
- Merge "Merge branch release-4-6 into release-5-0" into release-5-0 · f65f8e94
  Mark Abraham authored Sep 01, 2014
  
  f65f8e94
- Fixes and updates to BlueGene/Q support · 45fe367e
  Mark Abraham authored Aug 17, 2014
  45fe367e
- Merge branch release-4-6 into release-5-0 · 67520eb5
  Mark Abraham authored Sep 01, 2014
  67520eb5
- Merge "Merge branch release-4-6 into release-5-0" into release-5-0 · c0404b29
  Mark Abraham authored Sep 01, 2014
  
  c0404b29
Aug 31, 2014
- Added negative zero preprocessor constants · c7600299
  Erik Lindahl authored Aug 21, 2014
  c7600299
Aug 30, 2014
- Fixes issue with vsiten and verlet buffers. · 0336ab2d
  David van der Spoel authored Aug 30, 2014
  0336ab2d
Aug 29, 2014
- Version bump after 4.6.7 · e8f60965
  Mark Abraham authored Aug 29, 2014
  e8f60965
- Merge branch release-4-6 into release-5-0 · 5db68fed
  Mark Abraham authored Aug 28, 2014
  5db68fed
Aug 28, 2014
- Fixed two PME issues with MPI+OpenMP · 6ba80a26
  Berk Hess authored Aug 15, 2014
  View commits for tag v4.6.7 v4.6.7
  6ba80a26
Aug 25, 2014
- Fixed bugs in vsiteN with OpenMP · f86bed5e
  Berk Hess authored Aug 19, 2014
  f86bed5e
Aug 24, 2014
- Initialize unused velocity constraint components · 839b4f6c
  Berk Hess authored Aug 22, 2014
  839b4f6c
Aug 23, 2014
- Backport of 'Remove unused figures from share/html/' · 3fb6bcc1
  Teemu Murtola authored Jun 08, 2014 and Mark Abraham committed Aug 23, 2014
  3fb6bcc1
- Generalize markdown configuration machinery · 93356df4
  Mark Abraham authored Jul 10, 2014
  93356df4
- Unify documentation for webpage build · 9f500c77
  Mark Abraham authored Jul 07, 2014
  9f500c77
Aug 22, 2014
- Fix zlib usage with TNG · 71a0a9d6
  Mark Abraham authored Aug 04, 2014
  71a0a9d6
Aug 21, 2014
- Fixed TNG memory alignment problem and reset pointers. · 898166c3
  Magnus Lundborg authored Aug 19, 2014
  898166c3
Aug 20, 2014
- Add _GNU_SOURCE=1 to find clone() with PGI · bad36c33
  Erik Lindahl authored Aug 08, 2014
  bad36c33
- Change error to warning for missing OMP_NUM_THREADS · 60fe4151
  Roland Schulz authored Jul 15, 2014
  60fe4151
- Fix matrix pointer dereference bug in update.c · 415c0128
  Erik Lindahl authored Aug 12, 2014
  415c0128
- Enable SIMD register calling convention with gmx_simdcall · 4b120dde
  Erik Lindahl authored Jul 28, 2014
  4b120dde
- Add cycle counters for 64-bit ARM · 7897d6d8
  Erik Lindahl authored Aug 19, 2014
  7897d6d8