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  1. Dec 06, 2012
  2. 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
  3. Jul 20, 2012
  4. 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
  5. 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
      Classes which inherits from Action with public virtual · afb7ee01
      Giovanni Bussi authored
      should not call the Action::registerKeyword stuff.
      
      Indeed, since we stay on multiple inheritance, Action the keywords
      should be added by the daughter classes
      afb7ee01
    • 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
  6. Jan 09, 2012
    • Giovanni Bussi's avatar
      Some other assert() replaced with plumed_assert · 4469ad26
      Giovanni Bussi authored
      I tried to also add error messages, at least when I knew the meaning
      of the assertion...
      4469ad26
    • Giovanni Bussi's avatar
      Extensive use of forward class declaration. · 6e6dd4be
      Giovanni Bussi authored
      Basically I replaced all objects included in other objects with references, so as
      to eliminate the need to include the corresponding header file. In this manner the
      entanglement of compilation is greatly reduced.
      Forward class declaration is now used everywhere excepted for:
      * cases where it is impossible due to inline functions
        (for efficiency or because they are templates)
      * cases where it is impossible due to inheritance
      * small objects of fixed size such as Vector/Tensor/AtomNumber/Units/Pbc
      * classes of std:: namespace (it is not possible to forward-declare them).
      6e6dd4be
  7. Jan 04, 2012
  8. Jun 16, 2011
    • Giovanni Bussi's avatar
      Initial version · 4e6818a6
      Giovanni Bussi authored
      This is the draft version that I prepared and that we will use as
      a starting point. Still it is a bit dirty, and I will try to improve
      documentation and delete unused routines
      4e6818a6
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