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  1. Oct 09, 2013
  2. Aug 25, 2013
  3. Jul 21, 2013
  4. Jun 09, 2013
  5. Jun 03, 2013
    • Giovanni Bussi's avatar
      More robust checks with replica exchange and neighbor list · 2dfcd7ff
      Giovanni Bussi authored
      Now the code crashes in the following cases:
      1. An exchange is attempted on a step where neighbor list for COORDINATION
      (or DHENERGY) are not updated
      2. An exchange is attempted and neighbor list for PATHMSD or PROPERTYMAP are enabled.
      
      The second should be fixed better to allow using strides for lists which are
      divisor of the stride between steps. The better thing will likely come later, at least
      the code is safe now.
      2dfcd7ff
  6. Apr 17, 2013
  7. Feb 15, 2013
  8. Jan 24, 2013
  9. Jan 16, 2013
  10. Jan 09, 2013
  11. Jan 03, 2013
  12. Dec 10, 2012
  13. Dec 06, 2012
  14. 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
  15. Nov 19, 2012
  16. Nov 16, 2012
  17. Nov 15, 2012
  18. Nov 13, 2012
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