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  1. Jun 15, 2020
  2. Jan 11, 2019
  3. Mar 12, 2018
  4. Aug 16, 2017
  5. Jun 14, 2017
  6. Jun 08, 2017
  7. Jun 06, 2017
  8. May 11, 2017
  9. May 04, 2017
    • Giovanni Bussi's avatar
      headers · 9d462172
      Giovanni Bussi authored
      Notice that almost all files were updated with the astyle commit
      2813d759
      
      Year in header is here updated to 2017
      9d462172
  10. Apr 26, 2017
  11. Apr 25, 2017
  12. Apr 21, 2017
  13. Jan 08, 2016
  14. Jan 05, 2016
    • Giovanni Bussi's avatar
      Added units for masses and charges · 7d48a57c
      Giovanni Bussi authored
      I added the possibility to personalize charge and mass units
      in the same way as length, energy, and time units were treated so far.
      
      Notice that since two new cmd() strings have been added to set
      units from an MD code, it is necessary to increase the API version
      to 4.
      
      I also added the appropriate developer documentation.
      
      Fixes #179
      7d48a57c
  15. Aug 04, 2015
  16. Jul 01, 2015
  17. Nov 23, 2014
  18. Oct 15, 2014
  19. Aug 27, 2014
  20. Jun 25, 2014
  21. Oct 09, 2013
  22. Apr 17, 2013
  23. Dec 17, 2012
  24. 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
  25. Dec 06, 2012
  26. 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
  27. 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
  28. Jul 20, 2012
  29. Jul 19, 2012
    • Giovanni Bussi's avatar
      License related stuff · d22394b4
      Giovanni Bussi authored
      I added a PEOPLE file containing list of authors and a script
      (src/header.sh) which applies the Licence to all the source files.
      
      It can be applies multiple times (it automatically deletes the present header
      and replace it with the new one). Thus, to change the header, edit header.sh
      and execute it.
      d22394b4
  30. Jul 12, 2012
  31. Feb 10, 2012
    • Gareth Tribello's avatar
      Sorted the documentation for many of the Actions. This involved correcting · d60f2d8e
      Gareth Tribello authored
      some of the English and in some cases writing new documentation.  Also sorted
      a number of issues that arise because of the awkward formatting that is
      Doxygen requires
      d60f2d8e
    • Giovanni Bussi's avatar
      Added keyword registering functions to Action, ActionWithValue,... · 41c374dd
      Giovanni Bussi authored
      Added keyword registering functions to Action, ActionWithValue, ActionWithArguments and ActionSetup.
      Also added variables so that the keyword list can be passed to the Actions
      
      (merged from gat2-reorder branch)
      
      Added keyword registering to all the action classes listed below
      
      (merged from gat2-reorder branch)
      
      Added register keywords functions to all the classes below
      (merged from gat2-reorder branch)
      
      Fixed the registerKeywords routines in the committed subroutines
      
      Made sure colvar is adding keywords for numerical derivatives
      
      Oops... genericDebug should register keywords for action pilot.  It does now
      
      Added keyword registering for moving restraint
      
      Added keyword registering for NATURAL keyword
      
      COMPONENTS should have been registered as a flag and not an optional oops
      41c374dd
  32. Jan 09, 2012
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