Commits · f3bf5b16026d1045513feb526f89678a20d13d75 · Martin Kurečka / Plumed AlphaFold · GitLab

Aug 29, 2019
- Added documentation for WHAM actions to address issue #485 · f3bf5b16
  Gareth Tribello authored Aug 29, 2019
  
  f3bf5b16
- Addresses issue #441. The problem with convert to fes and periodic variables · 6603749d
  Gareth Tribello authored Aug 29, 2019
  
  6603749d
Aug 28, 2019
- Fixed typo in Switching function manual · 294d4405
  Gareth Tribello authored Aug 28, 2019
  
  294d4405
Aug 24, 2019
- Fixed bug in trying to use PCAVARS with just arguments · 21af1cf1
  Gareth Tribello authored Aug 24, 2019
  
  21af1cf1
Aug 21, 2019
- update citation · 05e444a3
  Massimiliano Bonomi authored Aug 21, 2019
  
  05e444a3
Aug 17, 2019
- changelog · e0309fa2
  Giovanni Bussi authored Aug 17, 2019
  
  e0309fa2
- fixed basestring in python3 · 054ecbf4
  Giovanni Bussi authored Aug 17, 2019
  
  054ecbf4
- Merge branch 'v2.5-fix-python-clang8' into v2.5 · e663a33b
  Giovanni Bussi authored Aug 17, 2019
  
  e663a33b
- Fixed building python module with clang 8.0 · 32a5193f
  Giovanni Bussi authored Aug 17, 2019
  32a5193f
Aug 09, 2019
- Merge pull request #511 from plumed/v2.5-fix-h36 · a89728e0
  Giovanni authored Aug 09, 2019
  a89728e0
- Merge remote-tracking branch 'origin/v2.5' into v2.5-fix-h36 · 15506132
  Giovanni Bussi authored Aug 09, 2019
  
  15506132
Aug 07, 2019
- Added template file for new rt-pca regtest · b0a3f32d
  Gareth Tribello authored Aug 07, 2019
  
  b0a3f32d
Aug 06, 2019
- Modified spelling script to stop vescodebot commenting on spelling mistakes as well as plumedbot · b749a16e
  Gareth Tribello authored Aug 06, 2019
  
  b749a16e
- Changed regtest for PCA so as to test outputting molinfo stuff in pdb · 22db3a03
  Gareth Tribello authored Aug 06, 2019
  
  22db3a03
Aug 05, 2019
- Merge remote-tracking branch 'origin/v2.5' into v2.5-fix-h36 · 5b88092e
  Giovanni Bussi authored Aug 05, 2019
  
  5b88092e
- Merge remote-tracking branch 'valsson/v2.5-ves-update-fix' into v2.5 · a7637c36
  Giovanni Bussi authored Aug 05, 2019
  
  a7637c36
- maxent regtests: further decreased number of digits · 8a5eead3
  Giovanni Bussi authored Aug 05, 2019
  
  8a5eead3
- maxent regtests: decreased number of digits · 04e4750f
  Giovanni Bussi authored Aug 05, 2019
  
  04e4750f
Aug 01, 2019
- Changelog done correctly · 3e60e676
  Omar Valsson authored Aug 01, 2019
  
  3e60e676
- Revert "Add to change log" · a04f3015
  Omar Valsson authored Aug 01, 2019
  a04f3015
- change assert to a warning · 6a206428
  Omar Valsson authored Aug 01, 2019
  
  6a206428
Jul 31, 2019
- fix customisableComp · b2eccf10
  carlocamilloni authored Jul 31, 2019
  
  b2eccf10
- Add to change log · efca0548
  Omar Valsson authored Jul 31, 2019
  
  efca0548
- Reset bf_values vector to zero after adding to averages · 4084214c
  Omar Valsson authored Jul 31, 2019
  
  4084214c
- Fixed a problem with updating of VES bias · 695b6090
  Omar Valsson authored Jul 31, 2019
  
  695b6090
- keywords: fix a small bug that was preventing customiszble components to avoid warning · 8af1efd7
  carlocamilloni authored Jul 31, 2019
  
  8af1efd7
- doc · b90c2826
  carlocamilloni authored Jul 31, 2019
  
  b90c2826
- updated xcode versions · 0ac916d9
  Giovanni Bussi authored Jul 31, 2019
  
  0ac916d9
Jul 30, 2019
- Spelling script now doesn't take git_version into account · 8165d13f
  Gareth Tribello authored Jul 30, 2019
  
  8165d13f
- Merge branch 'v2.5' into final-spelling-branch · d2b7442d
  Gareth Tribello authored Jul 30, 2019
  
  d2b7442d
- Temporarily turned off example checking · dc6fa44f
  Gareth Tribello authored Jul 30, 2019
  
  dc6fa44f
- Added explicit statements · 28ca1704
  Giovanni Bussi authored Jul 30, 2019
  28ca1704
Jul 29, 2019
- Fixed more spellings and ran astyle · 929b55a9
  Gareth Tribello authored Jul 29, 2019
  
  929b55a9
- Fixed more spelling mistakes · 7b141a91
  Gareth Tribello authored Jul 29, 2019
  
  7b141a91
- Merge remote-tracking branch 'origin/v2.5' into v2.5 · 77c057b9
  Giovanni Bussi authored Jul 29, 2019
  
  77c057b9
- Update LogMFD.cpp · d9971232
  tetsuyamorishita authored Jul 29, 2019
  
  d9971232
- Update COPYRIGHT · 01893c8a
  tetsuyamorishita authored Jul 29, 2019
  
  01893c8a
- changelog · ea4f67f0
  Giovanni Bussi authored Jul 29, 2019
  
  ea4f67f0
- Force cython to be used when building from source. · ae9b32c7
  Giovanni Bussi authored Jul 22, 2019
  
  ae9b32c7
- Set language_level · 2fc78581
  Giovanni Bussi authored Jul 22, 2019
  2fc78581