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  1. 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
  2. Jul 07, 2015
  3. Dec 06, 2013
    • Gareth Tribello's avatar
      Added source code from crystallization to main trunk of plumed · 7ca9f21d
      Gareth Tribello authored
      The source code from crystallization allows you to calculate
      Q4 and Q6 parameters.  You can also calculate local Q4 and local
      Q6 parameters and you create compound collective variables based
      on the relative orientations of internal vectors in adjacent molecules.
      
      Regtests for this functionality are reasonably thorough.  Manual is
      not so great as yet
      7ca9f21d
  4. Nov 23, 2012
    • Giovanni Bussi's avatar
      Source tree reorganization · 07d51f5a
      Giovanni Bussi authored
      All the source code have been moved into subdirectories of src/
      Some of these subdirectories are treated in a special manner:
      src/wrapper contains the wrappers for MD codes
      src/main contains the main.cpp file
      src/config contains files generated without compilation,
        just based on configuration info
      src/lib is the place where executables and libraries are put
        at the end
      src/cltools contains the command line tools
      src/tools contains plumed tools (reusable classes)
      src/basic contains PlumedMain, Action hierarchy and other basic stuff
      src/multicolvar contains MultiColvar stuff
      src/imd is the interactive MD (still not totally portable).
      
      Notice that, to allow easy inclusion of .h files from other modules,
      I link all the directories in src/ into module directory. In this
      way it is possible e.g. to write #include "config/PlumedConfig.h"
      
      See src/README and src/basic/Makefile to understand how inter-module
      dependencies are set
      07d51f5a
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