Commits · v2016.2 · googyer / GROMACS

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Feb 07, 2017
- Version 2016.2 · 907c158f
  Mark Abraham authored Feb 05, 2017
  View commits for tag v2016.2 v2016.2
  907c158f
- Add mdp option check with decoupled modes · 483a7a11
  Berk Hess authored Nov 09, 2016 and Mark Abraham committed Feb 07, 2017
  483a7a11
Feb 05, 2017
- Merge branch release-5-1 into release-2016 · 76c943d1
  Mark Abraham authored Feb 05, 2017
  76c943d1
Feb 03, 2017
- Fixes SEGV in gmx order. · 48d68b70
  David van der Spoel authored Feb 01, 2017 and Erik Lindahl committed Feb 03, 2017
  48d68b70
Feb 02, 2017
- Clarify use of tau-p and pcoupltype · fe436f74
  Mark Abraham authored Feb 05, 2016 and David van der Spoel committed Feb 02, 2017
  fe436f74
- Really fix array of complex in cross_corr · 93b786d2
  Berk Hess authored Feb 02, 2017
  93b786d2
- Fix array of complex in cross_corr · 13e0e871
  Berk Hess authored Jan 31, 2017 and Aleksei Iupinov committed Feb 02, 2017
  13e0e871
Jan 31, 2017
- Merge branch release-5-1 into release-2016 · 0813180e
  Mark Abraham authored Jan 31, 2017
  0813180e
Jan 30, 2017
- Fix multi-domain reruns · 2fc737df
  Mark Abraham authored Jan 27, 2017 and Szilárd Páll committed Jan 30, 2017
  2fc737df
- Don't print invalid performance data · 1d2d95e3
  Mark Abraham authored Jan 20, 2017 and David van der Spoel committed Jan 30, 2017
  1d2d95e3
Jan 22, 2017
- Fixed gmx rmsf -q -oq. · 95476406
  Mark Abraham authored Jan 22, 2017
  95476406
Jan 20, 2017
- Disallow overwriting of dihedral type 9 · 6b3b7474
  Berk Hess authored Dec 09, 2016 and Mark Abraham committed Jan 20, 2017
  6b3b7474
Jan 17, 2017
- Correct assert on pme-order · 602eadf8
  Berk Hess authored Jan 17, 2017
  602eadf8
Jan 05, 2017
- Supress ICC 16 on Windows false postives · 4feb0be3
  Roland Schulz authored Oct 21, 2016
  4feb0be3
- Fix flat-bottom position restraints + DD + OpenMP · 9a45db56
  Berk Hess authored Jan 03, 2017 and Szilárd Páll committed Jan 05, 2017
  9a45db56
- Fix compilation with CMAKE_CXX_FLAGS="-Wall -Werror" · 31f0c056
  Aleksei Iupinov authored Jan 05, 2017
  31f0c056
- Merge "Merge branch release-5-1 into release-2016" into release-2016 · cc152328
  Gerrit Code Review authored Jan 05, 2017
  
  cc152328
Jan 04, 2017
- Stop trying to use objdump --reloc on Mac · bef50cea
  Mark Abraham authored Dec 20, 2016
  bef50cea
Jan 03, 2017
- Merge branch release-5-1 into release-2016 · 7e34948e
  Mark Abraham authored Jan 03, 2017
  7e34948e
Dec 20, 2016
- Corrected documentation about eigenvalue handling · 1123d64d
  Mark Abraham authored Dec 20, 2016
  1123d64d
- Improve build system for plugin support · f6eacdd8
  Mark Abraham authored Nov 24, 2016 and Roland Schulz committed Dec 20, 2016
  f6eacdd8
Dec 15, 2016
- Fix syntax in cmake status message · 546e12d9
  M. Eric Irrgang authored Dec 13, 2016 and Roland Schulz committed Dec 15, 2016
  546e12d9
- Improve include sorter error reporting · b142605b
  Vedran Miletić authored Dec 12, 2016 and Roland Schulz committed Dec 15, 2016
  b142605b
- Handle warninp correctly in xpm2ps and membed · 8bb05c05
  Mark Abraham authored Dec 12, 2016 and Roland Schulz committed Dec 15, 2016
  8bb05c05
Dec 14, 2016
- Fix misleading parallelization docs for gmx wham · 3fc929a5
  Mark Abraham authored Dec 14, 2016 and David van der Spoel committed Dec 14, 2016
  3fc929a5
- Add bonded #thread runtime check · c0a90b8b
  Berk Hess authored Dec 08, 2016
  c0a90b8b
Dec 10, 2016
- Build scripts for improved release workflow · 7952be34
  Teemu Murtola authored Dec 01, 2016 and Mark Abraham committed Dec 10, 2016
  7952be34
Dec 09, 2016
- Fix logic of TRR reading · d465ad8b
  Mark Abraham authored Dec 09, 2016 and Berk Hess committed Dec 09, 2016
  d465ad8b
- Turn off hwloc support when static lib found · ccbd250a
  Szilárd Páll authored Nov 03, 2016 and Mark Abraham committed Dec 09, 2016
  ccbd250a
Dec 08, 2016
- Fix possible memory error with long selections · b7817e2d
  Teemu Murtola authored Dec 03, 2016 and Mark Abraham committed Dec 08, 2016
  b7817e2d
- Make editconf B-factor attachment more useful in practice · c35e87d6
  Vedran Miletić authored Sep 16, 2016
  c35e87d6
Dec 07, 2016
- Fix use of position variables with plus/merge · c848f4a4
  Teemu Murtola authored Dec 05, 2016 and Mark Abraham committed Dec 07, 2016
  c848f4a4
- Fix memory handling in gmx dump of TNG files · e8a13704
  Mark Abraham authored Dec 05, 2016
  e8a13704
Dec 05, 2016
- Remove undue narrowing of integer in TNG reading · b2ed78d7
  Mark Abraham authored Dec 05, 2016
  b2ed78d7
Dec 01, 2016
- Fix minor trjconv bug · 91fd36e3
  Mark Abraham authored Dec 01, 2016
  91fd36e3
Nov 29, 2016
- Additional selection help · 17c6b1f0
  Teemu Murtola authored Nov 26, 2016
  17c6b1f0
Nov 17, 2016
- Correct kernel launch bounds for CUDA sm_60 · 9e614406
  Szilárd Páll authored Sep 27, 2016
  9e614406
Nov 16, 2016
- Increased the default reset step to 1500 in gmx tune_pme · 7252de1a
  Carsten authored Sep 27, 2016 and Mark Abraham committed Nov 16, 2016
  7252de1a
Nov 15, 2016
- Fixed typo in membed.cpp · 0f1ce5d4
  Carsten authored Nov 15, 2016
  0f1ce5d4
Nov 10, 2016
- cmake: fix build with GMX_EXTERNAL_TNG=ON · e912c71b
  Christoph Junghans authored Nov 03, 2016
  e912c71b