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  1. Jul 29, 2019
  2. Dec 17, 2018
    • Giovanni Bussi's avatar
      LogMFD/PD · 1f07a41b
      Giovanni Bussi authored
      @tetsuyamorishita I merged all your commits into a single one.
      
      Notice that I reimplemented the Communicator function that you needed
      (Max) together with a few others (Min and Prod).
      
      See #422
      1f07a41b
  3. Sep 12, 2018
    • SilvioPipolo's avatar
      Squashed all commits from PIV. · e7f6fa89
      SilvioPipolo authored
      See #370
      
      cc @silviopipolo
      
      Logs are below. Commits affecting the core have been squashed separately.
      In addition, I fixed namespace name (should be `piv`).
      
      ----
      
      PIV metric coupled with PathCV and added input example for doxygen.
      
      Line CRYST1 of a PDB file is read and box vectors, axis and angles are
      computed. Functions are added to get box parameters.
      
      Added function getClosePairAtomNumber to get pairs in AtomNumber format
      for piv construction.
      
      Added function set_r0 to set the R_0 value from piv class once the
      scaling factor has been defined.
      
      piv module added
      
      Added piv module regtests on distance and derivatives/virial
      
      PIV.cpp Astyled
      
      Files astyled using plumed astyle
      
      solved Travis warnings on non-initialized member variables
      
      Solved the R_0 issue without adding any new function in
      SwitchingFunction.cpp, but by substituting its value in the string read as
      in PIV.cpp.
      
      Fixed format in reading box parmaters (CRYST1) in pdb.cpp
      
      Changed the construction of the box vectors from length and angle
      parameters in pdb.cpp
      
      fixed update_piv
      
      astyle PIV
      
      pic
      e7f6fa89
  4. Mar 20, 2017
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