Commits · 6c668e53edc9e44a77b6a201c802244b6ac95067 · Martin Kurečka / Plumed AlphaFold

Browse files

Mar 29, 2019
- PLUMED requestAtoms in action with value has · 6c668e53
  carlocamilloni authored Mar 29, 2019
  6c668e53
- MetaInference: added multiple bias_max bias min entry · f7eebd23
  carlocamilloni authored Mar 29, 2019
  
  f7eebd23
Mar 28, 2019
- Merge branch 'v2.4' into v2.5 · 413f9614
  Giovanni Bussi authored Mar 28, 2019
  
  413f9614
- changelog · 08399bb9
  Giovanni Bussi authored Mar 28, 2019
  
  08399bb9
- Merge branch 'v2.4' into v2.5 · 6c8f3eac
  Giovanni Bussi authored Mar 28, 2019
  
  6c8f3eac
- Merge remote-tracking branch 'origin/fix-underscores' into v2.4 · 87ce249a
  Giovanni Bussi authored Mar 28, 2019
  
  87ce249a
Mar 22, 2019
- Merge branch 'v2.4' into v2.5 · f6f2751b
  Giovanni Bussi authored Mar 22, 2019
  
  f6f2751b
- changelog · 160127c8
  Giovanni Bussi authored Mar 22, 2019
  
  160127c8
- gromacs 2018.5 -> gromacs 2018.6 · cc0e4d49
  Giovanni Bussi authored Mar 22, 2019
  
  cc0e4d49
- Merge branch 'v2.4' into v2.5 · 075a7386
  Giovanni Bussi authored Mar 22, 2019
  
  075a7386
- fixed config files · e3968dc6
  Giovanni Bussi authored Mar 22, 2019
  
  e3968dc6
- Merge branch 'v2.4' into v2.5 · 285e04be
  Giovanni Bussi authored Mar 22, 2019
  
  285e04be
- gromacs patch 2018.4 -> 2018.5 · c0c8e06e
  Giovanni Bussi authored Mar 22, 2019
  c0c8e06e
- changelog · 5858a38e
  Giovanni Bussi authored Mar 22, 2019
  
  5858a38e
- updated gromacs patch 2016.5 -> 2016.6 · 60f44754
  Giovanni Bussi authored Mar 22, 2019
  60f44754
Mar 20, 2019
- Merge branch 'v2.5' of https://github.com/plumed/plumed2 into v2.5 · 7e01b987
  Gareth Tribello authored Mar 20, 2019
  
  7e01b987
- Added tutorial for ESDW workshop in Lyon · a64c53cf
  Gareth Tribello authored Mar 20, 2019
  a64c53cf
Mar 19, 2019
- Regtests for synonymous keywords · 3b60cfd1
  Giovanni Bussi authored Mar 14, 2019
  
  3b60cfd1
- PATHMSD and PROPERTYMAP: added LOG_CLOSE and DEBUG_CLOSE as aliases to LOG-CLOSE and DEBUG-CLOSE · 081ce874
  Giovanni Bussi authored Jan 21, 2019
  
  081ce874
- PCARMSD: added SQUARE_ROOT as synonimous of SQUARE-ROOT · c6ea7c3e
  Giovanni Bussi authored Jan 21, 2019
  
  c6ea7c3e
- Added MULTI_RMSD as an alias to MULTI-RMSD · fd030eb6
  Giovanni Bussi authored Jan 21, 2019
  fd030eb6
- Merge branch 'v2.4' into v2.5 · e4591cd0
  Giovanni Bussi authored Mar 19, 2019
  
  e4591cd0
- changelog · 57480007
  Giovanni Bussi authored Mar 19, 2019
  
  57480007
- astyle · 12f72f1b
  Giovanni Bussi authored Mar 19, 2019
  
  12f72f1b
- Added call to runFinalJobs in plumed in simplemd · 2cc027e9
  Gareth Tribello authored Mar 15, 2019
  2cc027e9
Mar 15, 2019
- Added call to runFinalJobs in plumed in simplemd · 781e5677
  Gareth Tribello authored Mar 15, 2019
  781e5677
- Fixed multiple spelling mistakes in manual · b6e6f022
  Gareth Tribello authored Mar 15, 2019
  
  b6e6f022
Mar 07, 2019
- added travis_wait in front of all sudo port commands · 9f129e89
  Giovanni Bussi authored Mar 06, 2019
  
  9f129e89
- macports: build openblas separately to allow timeouts · ed5e8ea5
  Giovanni Bussi authored Mar 06, 2019
  
  ed5e8ea5
Feb 28, 2019
- changelog · e330424f
  Giovanni Bussi authored Feb 28, 2019
  
  e330424f
- Merge branch 'fix-446' into v2.5 · 4e841523
  Giovanni Bussi authored Feb 28, 2019
  
  4e841523
- Fixed gromacs patch to correctly pass number of threads · a4da0852
  Giovanni Bussi authored Feb 28, 2019
  
  a4da0852
Feb 27, 2019
- Removed duplicated keywords · fce7e1bd
  Giovanni Bussi authored Feb 27, 2019
  fce7e1bd
- Merge branch 'v2.4' into v2.5 · 52dcace8
  Giovanni Bussi authored Feb 27, 2019
  
  52dcace8
- Removed duplicates keywords · 8ed9697a
  Giovanni Bussi authored Feb 27, 2019
  8ed9697a
- changelog · 29d3874b
  Giovanni Bussi authored Feb 25, 2019
  
  29d3874b
- Using the tests from travis · 68b04b38
  Giovanni Bussi authored Feb 25, 2019
  
  68b04b38
- Added test using python arrays instead of numpy arrays · c9704733
  Giovanni Bussi authored Feb 25, 2019
  
  c9704733
Feb 26, 2019
- Allow passing raw arrays. · 18452f91
  Giovanni Bussi authored Feb 22, 2019
  18452f91
- Removed numpy from requirements · dcc05dd1
  Giovanni Bussi authored Feb 22, 2019
  dcc05dd1