Commits · d27e3c0fc6495228ef3c90c188256f689bb40110 · Martin Kurečka / Plumed AlphaFold

Sep 09, 2019
- Small fix to convertToFes where ceil was used instead of round · d27e3c0f
  Gareth Tribello authored 5 years ago
  
  d27e3c0f
Sep 04, 2019
- astyle · 8b4c26dd
  Giovanni Bussi authored 5 years ago
  
  8b4c26dd
- Addresses issue #441. The problem with convert to fes and periodic variables · 639dca7a
  Gareth Tribello authored 5 years ago
  
  639dca7a
Aug 30, 2019
- Ran astyle fixed spelling error · 828fca4f
  Gareth Tribello authored 5 years ago
  
  828fca4f
- Fixed some spelling mistakes · bf139154
  Gareth Tribello authored 5 years ago
  
  bf139154
- astyle · 434cbf64
  carlocamilloni authored 5 years ago
  
  434cbf64
Aug 29, 2019
- Added documentation for WHAM actions to address issue #485 · f3bf5b16
  Gareth Tribello authored 5 years ago
  
  f3bf5b16
- Addresses issue #441. The problem with convert to fes and periodic variables · 6603749d
  Gareth Tribello authored 5 years ago
  
  6603749d
Aug 28, 2019
- Fixed typo in Switching function manual · 294d4405
  Gareth Tribello authored 5 years ago
  
  294d4405
Aug 24, 2019
- Fixed bug in trying to use PCAVARS with just arguments · 21af1cf1
  Gareth Tribello authored 5 years ago
  
  21af1cf1
Aug 21, 2019
- update citation · 05e444a3
  Massimiliano Bonomi authored 5 years ago
  
  05e444a3
Aug 01, 2019
- change assert to a warning · 6a206428
  Omar Valsson authored 5 years ago
  
  6a206428
Jul 31, 2019
- fix customisableComp · b2eccf10
  carlocamilloni authored 5 years ago
  
  b2eccf10
- Reset bf_values vector to zero after adding to averages · 4084214c
  Omar Valsson authored 5 years ago
  
  4084214c
- Fixed a problem with updating of VES bias · 695b6090
  Omar Valsson authored 5 years ago
  
  695b6090
- keywords: fix a small bug that was preventing customiszble components to avoid warning · 8af1efd7
  carlocamilloni authored 5 years ago
  
  8af1efd7
Jul 30, 2019
- Added explicit statements · 28ca1704
  Giovanni Bussi authored 5 years ago
  
  cppcheck warnings
  28ca1704
Jul 29, 2019
- Fixed more spellings and ran astyle · 929b55a9
  Gareth Tribello authored 5 years ago
  
  929b55a9
- Fixed more spelling mistakes · 7b141a91
  Gareth Tribello authored 5 years ago
  
  7b141a91
- Update LogMFD.cpp · d9971232
  tetsuyamorishita authored 5 years ago
  
  d9971232
- Update COPYRIGHT · 01893c8a
  tetsuyamorishita authored 5 years ago
  
  01893c8a
- Force cython to be used when building from source. · ae9b32c7
  Giovanni Bussi authored 5 years ago
  
  ae9b32c7
- fixed a number of clang warnings · 38a84d2d
  carlocamilloni authored 5 years ago
  
  38a84d2d
- PathTool: fix warning · 03bafd0a
  carlocamilloni authored 5 years ago
  
  03bafd0a
- EDS: fix warning · 236a4d40
  carlocamilloni authored 5 years ago
  
  236a4d40
- fixed LGTM warning · b7e6ebfc
  Giovanni Bussi authored 5 years ago
  
  b7e6ebfc
- fixed LGTM warning · cc44c17a
  Giovanni Bussi authored 5 years ago
  
  cc: @tetsuyamorishita
  cc44c17a
- fixed LGTM warning · 24ab93b7
  Giovanni Bussi authored 5 years ago
  
  24ab93b7
- fixed LGTM warning · 141446db
  Giovanni Bussi authored 5 years ago
  
  141446db
- fixed LGTM warning · 4b2b9e14
  Giovanni Bussi authored 5 years ago
  
  cc: @hanatok
  4b2b9e14
Jul 28, 2019
- Made it so that example checking script can now deal with MOLINFO commands · d052aa0a
  Gareth Tribello authored 5 years ago
  
  d052aa0a
- PIV: cleaned warnings · e9fb3d25
  carlocamilloni authored 5 years ago
  
  e9fb3d25
- Functionality for checking plumed include files has been done in a neater way · b68eff0e
  Gareth Tribello authored 5 years ago
  
  b68eff0e
Jul 27, 2019
- Small changes to examples in MolInfo so they run · 8b984aef
  Gareth Tribello authored 5 years ago
  
  8b984aef
- Removed snipped input from ContactMap · f92b9303
  Gareth Tribello authored 5 years ago
  
  f92b9303
- Fixed documentation for LogMFD - please check · 958d66c2
  Gareth Tribello authored 5 years ago
  
  958d66c2
- Fixed examples in FuncPathMSD · 2ac6b2eb
  Gareth Tribello authored 5 years ago
  
  2ac6b2eb
- Made examples in manual for Metainference run. · 0d25ffa1
  Gareth Tribello authored 5 years ago
  
  Please check @carlocamilloni and @maxbonomi
  0d25ffa1
- Changes to documentation for EDS · 962515ad
  Gareth Tribello authored 5 years ago
  
  962515ad
- Fixed inputs for EDS so that they run with plumed. Please check · 64bfd929
  Gareth Tribello authored 5 years ago
  
  64bfd929