Skip to content
Snippets Groups Projects
  1. Jan 08, 2016
  2. Jul 01, 2015
  3. Apr 22, 2015
  4. Apr 09, 2015
  5. Sep 29, 2014
    • Giovanni Bussi's avatar
      Added PLMD::molfile namespace · 5b8a2f08
      Giovanni Bussi authored
      Now all the types and functions declared in the
      local version of molfile plugins are properly wrapped
      in a namespace.
      
      Possibly fixes #110
      5b8a2f08
  6. Aug 29, 2014
  7. Aug 27, 2014
  8. Jun 25, 2014
  9. Jun 18, 2014
  10. Jun 08, 2014
    • Gareth Tribello's avatar
      Fixes to the manual · ed6b9f99
      Gareth Tribello authored
      Changes to the code are there so that I can reference the atoms
      page in the descriptions of keywords that read atom numbers.  I also
      changed the input to multicolvar functions.  I stopped using the ARG
      keyword in these actions and used DATA instead because you are refering
      to the data calculated in a multicolvar as opposed to a scalar quantity
      calculated by a particular action.
      ed6b9f99
  11. Feb 14, 2014
    • Giovanni Bussi's avatar
      Fixes #82 · 67c64d59
      Giovanni Bussi authored
      Sorry for this - on linux/intel it was compiling properly
      67c64d59
  12. Feb 13, 2014
  13. Jan 20, 2014
    • Toni G's avatar
      docs · 7389a498
      Toni G authored
      7389a498
  14. Jan 18, 2014
  15. Jan 17, 2014
  16. Dec 09, 2013
  17. Nov 14, 2013
  18. Oct 18, 2013
    • Giovanni Bussi's avatar
      Fixed stopflag in Driver · 92f468e8
      Giovanni Bussi authored
      I fixed the usage of stopflag in driver so that it is clearer
      that the program stops at the end of the present step and not
      at the beginning of the following. This is obviously equivalent,
      but shows that scope of the flag can be reduced to be defined
      at the inner of the MD loop.
      
      Even if this is not a bux fix, I consider it as paired with fix #47
      and I merge it to v2.0
      92f468e8
  19. Oct 16, 2013
  20. Oct 09, 2013
  21. Aug 25, 2013
  22. Jul 05, 2013
    • Giovanni Bussi's avatar
      Added framework to use driver on multiple trajectories · 1701fc1e
      Giovanni Bussi authored
      I adapted the debug replica exchange stuff. Since running on multiple
      trajectory could be useful, I leave --multi as a non-hidden option.
      
      I slightly changed behavior of the hidden flag --debug-grex (now one sets the exchange stride, not the number of replicas - the latter is set with --multi). Thus, a couple of retests had to be updated
      1701fc1e
  23. Jun 13, 2013
  24. Jun 12, 2013
  25. Jun 11, 2013
  26. Jun 10, 2013
  27. May 29, 2013
  28. Apr 17, 2013
  29. Apr 16, 2013
  30. Mar 06, 2013
  31. Jan 24, 2013
  32. Jan 16, 2013
  33. Jan 10, 2013
Loading