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  1. Aug 11, 2013
  2. Apr 17, 2013
  3. Apr 16, 2013
  4. Jan 09, 2013
  5. Jan 03, 2013
  6. Dec 12, 2012
    • Giovanni Bussi's avatar
      Moving setup actions in a separate dir · 5e6e6d60
      Giovanni Bussi authored
      Since the SetupMolInfo action is used by other ones, I left it
      in core/. It is however registered in setup/, so that it can be excluded
      disabling that module. Moreover, I added a method so as to remove
      a friend statement in PlumedMain
      5e6e6d60
  7. Dec 06, 2012
  8. 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
  9. Sep 24, 2012
    • Giovanni Bussi's avatar
      Units parsing has been relegated to class Units · b0241fc6
      Giovanni Bussi authored
      This will allow to parse units also in places different from SetupUnits.
      I also modified the Units class in such a manner that data is private
      and access is safer. This required to change all around accesses
      to its components.
      b0241fc6
  10. Sep 22, 2012
  11. Sep 21, 2012
  12. Sep 02, 2012
  13. Aug 28, 2012
  14. Jul 27, 2012
    • Giovanni Bussi's avatar
      Changed behavior of parenthesis · 48908bfb
      Giovanni Bussi authored
      Curly brackets {} should be used instead of parenthesis () to delimit input
      parameters. This will allow to use parenthesis in matheval.
      
      Regtests and documentation have been updated accordingly - I hope there not
      inconsistencies around!
      48908bfb
  15. Jul 20, 2012
  16. Jul 19, 2012
  17. Jul 18, 2012
  18. Jul 12, 2012
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