Commits · 20cd869f699b5693b13a2c8d564dff4cf6d334b5 · Martin Kurečka / Plumed AlphaFold · GitLab

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May 02, 2016
- Added method to calculate ensemble averages · 20cd869f
  Gareth Tribello authored 8 years ago
  
  20cd869f
- Started adding all the stuff for reweighting in an averaging base class · a8cfda16
  Gareth Tribello authored 8 years ago
  
  a8cfda16
- Added base class for creating grid and made everything involving grids inherits from here · 6dae14cc
  Gareth Tribello authored 8 years ago
  
  6dae14cc
- Fixed the HISTOGRAM action with the new style · 9301710f
  Gareth Tribello authored 8 years ago
  
  9301710f
- Begain fixing grids and histograms · 83f04245
  Gareth Tribello authored 8 years ago
  
  83f04245
Apr 07, 2016
- Fixed bugs in converting histograms to free energies · d55f7a91
  Gareth Tribello authored 9 years ago
  
  d55f7a91
Apr 06, 2016
- Tidied up manual for analysis tools · 58b1d33f
  Gareth Tribello authored 9 years ago
  
  58b1d33f
- Added more regtests for MultiColvarDensity and fixed various bugs in this code · f30eef4b
  Gareth Tribello authored 9 years ago
  
  f30eef4b
- Added more thorough regtests of new HISTOGRAM functionality and fixed various bugs in this code · 397af39d
  Gareth Tribello authored 9 years ago
  
  397af39d
Jan 30, 2016
- Small fix to ensure that you can perform multiple actions on a calculated grid · 8ab10ab8
  Gareth Tribello authored 9 years ago
  
  8ab10ab8
- Using new grid infrastructure for histogram · a0479f21
  Gareth Tribello authored 9 years ago
  
  a0479f21