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  1. Dec 11, 2018
    • Giovanni Bussi's avatar
      Fix #421 · 02d6d5a8
      Giovanni Bussi authored
      Notice that I had to change to interface of a couple of functions
      ActionSet:getLabelList() and getLabelVector()
      adding a template parameter.
      Should be harmless since these functions were used in a few places only.
      02d6d5a8
  2. Mar 12, 2018
  3. Jun 08, 2017
  4. Jun 06, 2017
  5. May 11, 2017
  6. 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
  7. Apr 25, 2017
  8. Apr 21, 2017
  9. Mar 28, 2017
  10. Mar 05, 2017
  11. Jan 08, 2016
  12. Aug 27, 2014
  13. Jun 25, 2014
  14. Oct 09, 2013
  15. Aug 16, 2013
  16. Apr 17, 2013
  17. Feb 15, 2013
  18. Dec 17, 2012
    • Giovanni Bussi's avatar
      Fixed namespace · ee4ff73d
      Giovanni Bussi authored
      I replaced all the "using namespace PLMD" statements with explicit
      namespace PLMD{ …… }. This is more clear and simplify the syntax for
      defining operators
      ee4ff73d
  19. Dec 06, 2012
  20. 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
  21. Jul 21, 2012
  22. Jul 20, 2012
  23. 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
  24. Jul 21, 2011
  25. Jun 30, 2011
    • Giovanni Bussi's avatar
      Fixed some problems detected by valgrind · 5bbf3488
      Giovanni Bussi authored
      I added some stricter check for deallocations of Atoms::Request
      objects. I also removed the SIGMA keyword from Colvar (the right
      place would be in Value). Finally, I fixed some lines which were
      leading to apparent memory leakage with valgrind.
      5bbf3488
  26. 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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