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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. Oct 15, 2012
    • Giovanni Bussi's avatar
      Improved template generator · fec8f683
      Giovanni Bussi authored
      Patch adapted from Toni Giorgino.
      
      use "plumed gentemplate --list" to print list of templates
      use "plumed gentemplate --include-optional --action PIPPO" to include
       optional keywords for directive PIPPO
      fec8f683
  4. Sep 26, 2012
    • Gareth Tribello's avatar
      Stuff for templates and changes to developer + user manuals · bc7694f0
      Gareth Tribello authored
      Added a tool for generating template versions of the various collective
      variables.  This involved changing the secondary structure variables
      work (by default you now do LESS_THAN).  In addition, plumed now understands
      that atoms can be specified in multiple ways sometimes.
      
      Also changed the developer manual so as to make it easier to find the
      tutorials
      bc7694f0
  5. Jul 20, 2012
  6. 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
  7. Jun 06, 2012
  8. Feb 10, 2012
  9. Jan 09, 2012
    • 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
  10. Dec 09, 2011
    • Giovanni Bussi's avatar
      DLLoader class · 9acf5d7a
      Giovanni Bussi authored
      It takes care of dynamic loading, and unload libraries when plumedMain
      is destroyed. This allows for a complete memory cleanup at the
      end of execution.
      9acf5d7a
  11. Jul 21, 2011
  12. Jul 20, 2011
  13. Jul 13, 2011
  14. 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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