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    • Giovanni Bussi's avatar
      Implements correctly biasfactor=1 · bcd2a29e
      Giovanni Bussi authored
      This is done in the following way:
      - Special value of biasfactor for non-well-tempered is -1.0
      - When biasfactor=1, -F is stored instead of V
      
      In this manner the only change visible from outside is
      that HILLS file produced with non-well-tempered metad
      have biasfactor=-1
      
      Addresses #220
      bcd2a29e
    • Giovanni Bussi's avatar
      Implemented RECT keyword for METAD · dd52c203
      Giovanni Bussi authored
      Allows specifying multiple BIASFACTORs in a single file.
      
      In addition, it triggers a citation to "altruistic" paper
      by Spiwok et al when using METAD with RECT and WALKERS_MPI.
      Notice that in this case the free-energy estimator is shared
      rather than the bias itself, so as to allow "altruistic" updates
      when walkers have different biasfactors (as in RECT).
      dd52c203
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