Commits · c19f32ccb83fffa9084571bd36ebd4be12a729cd · Martin Kurečka / Plumed AlphaFold

Browse files

Apr 23, 2015
- Added regtest for #126 · c19f32cc
  Giovanni Bussi authored Apr 23, 2015
  
  c19f32cc
- Fix #126 · a8992f09
  Giovanni Bussi authored Apr 23, 2015
  a8992f09
- MetaD: fixed a warning and added the description of the component "work" · e1149fee
  Carlo Camilloni authored Apr 23, 2015
  
  e1149fee
- CLTools: added the possibility of setting PLUMED_ROOT · 1b20cb90
  Carlo Camilloni authored Apr 23, 2015
  1b20cb90
- Merge branch 'v2.1' · 4a161314
  Carlo Camilloni authored Apr 23, 2015
  
  4a161314
- patches: fixed grep · e1f9b1ed
  Carlo Camilloni authored Apr 23, 2015
  
  e1f9b1ed
- patches: this should be more transferable · 98ffecbf
  Carlo Camilloni authored Apr 23, 2015
  
  98ffecbf
- Merge branch 'v2.1' · a828d843
  Carlo Camilloni authored Apr 23, 2015
  
  a828d843
- patches: tell whether plumed is compiled with MPI or not · 8771f4ab
  Carlo Camilloni authored Apr 23, 2015
  8771f4ab
- Merge branch 'v2.1' · 555977a2
  Carlo Camilloni authored Apr 23, 2015
  
  555977a2
- configure: more explicit messages about MPI configuration · 23640d91
  Carlo Camilloni authored Apr 23, 2015
  
  23640d91
- Merge branch 'v2.1' · e051181f
  Giovanni Bussi authored Apr 23, 2015
  
  e051181f
- changelog · 9e06c196
  Giovanni Bussi authored Apr 22, 2015
  
  9e06c196
- Regtest for #74 · f55661f2
  Giovanni Bussi authored Apr 22, 2015
  
  f55661f2
- Fixes #74 · ba0ef52b
  Giovanni Bussi authored Apr 22, 2015
  ba0ef52b
Apr 22, 2015
- Exploit dump-full-virial in test · 97d4edec
  Giovanni Bussi authored Apr 22, 2015
  
  97d4edec
- More virial components · 2c01f1f2
  Giovanni Bussi authored Apr 22, 2015
  2c01f1f2
- Fixed set virial to zero · 44d0d5fc
  Giovanni Bussi authored Apr 22, 2015
  44d0d5fc
- Merge branch 'v2.1' · 3d0ac9e9
  Gareth Tribello authored Apr 22, 2015
  
  3d0ac9e9
- Fixed potential bug in Atoms · eafefd26
  Gareth Tribello authored Apr 22, 2015
  eafefd26
Apr 21, 2015
- Improved doc on API version · 33850404
  Giovanni Bussi authored Apr 21, 2015
  33850404
- Typo in doc · 9397f054
  Giovanni Bussi authored Apr 21, 2015
  9397f054
- Fixed doc · da737859
  Giovanni Bussi authored Apr 21, 2015
  
  da737859
- Removed double loop on atoms in PCA · ddc14d8d
  Giovanni Bussi authored Apr 21, 2015
  
  ddc14d8d
Apr 20, 2015
- defaulted to OLDRMSD · a507eb51
  Davide Branduardi authored Apr 20, 2015
  
  a507eb51
- Fixed test basic/rt64-pca · 43d1b5ee
  Gareth Tribello authored Apr 20, 2015
  43d1b5ee
- Fixed virial in PCARMSD · cca21bb7
  Gareth Tribello authored Apr 20, 2015
  cca21bb7
- Added description of new functionality · c1d077c8
  Gareth Tribello authored Apr 20, 2015
  
  c1d077c8
- Merge branch 'master' into refactor_rmsd3_master · e1a90b40
  Gareth Tribello authored Apr 20, 2015
  
  e1a90b40
- Added doc for LoopUnroller · e6a924e6
  Giovanni Bussi authored Apr 20, 2015
  
  e6a924e6
Apr 19, 2015
- Merge remote-tracking branch 'origin/refactor_rmsd3' into refactor_rmsd3 · 7564541c
  Davide Branduardi authored Apr 19, 2015
  
  7564541c
- Refined PCARMSD colvar · 6bb06b50
  Davide Branduardi authored Apr 19, 2015
  
  6bb06b50
- Small fix to read in of PCAVars · cd4bcf7c
  Gareth Tribello authored Apr 19, 2015
  
  cd4bcf7c
- added stuff for fit to template · b7784201
  Davide Branduardi authored Apr 19, 2015
  
  b7784201
- Cosmetics on PCARMSD · c8700e4a
  Davide Branduardi authored Apr 19, 2015
  
  c8700e4a
- PDB setPositions · 3c2039ab
  Davide Branduardi authored Feb 14, 2015
  
  3c2039ab
- Just set default no OLDRMSD · 083ffa84
  Davide Branduardi authored Feb 14, 2015
  
  083ffa84
- More compact RMSD · 2122a05f
  Davide Branduardi authored Feb 14, 2015
  
  2122a05f
- Bugfix in derivative of reference · 535976c6
  Davide Branduardi authored Feb 14, 2015
  
  535976c6
- Added SOMA stuff · 5e719291
  Davide Branduardi authored Apr 19, 2015
  
  5e719291