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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
    • Giovanni Bussi's avatar
      Fix for clang compiler · 2e9679ef
      Giovanni Bussi authored
      Related to e45b88f3
      2e9679ef
    • Giovanni Bussi's avatar
      Replaced timers with portable chrono · e45b88f3
      Giovanni Bussi authored
      Before c++11 we neede to use different timers on different systems.
      
      C++11 defined a high resolution chrono class that should be portable.
      e45b88f3
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