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  1. Oct 08, 2015
  2. Oct 07, 2015
  3. Oct 06, 2015
  4. Oct 05, 2015
  5. Sep 14, 2015
    • Giovanni Bussi's avatar
      Fixed #168 · 4d7f515a
      Giovanni Bussi authored
      This bug was introduced by me in 5e3aaf3a
      The barrier on multi replicas was due to overcaution and
      is only necessary when using WALKERS_MPI
      4d7f515a
  6. Jul 29, 2015
    • Giovanni Bussi's avatar
      Added barriers · 5e3aaf3a
      Giovanni Bussi authored
      It seems that sometime on travis a regtest with mw-mpi crashes.
      
      I think this is because when using multiple processors per walker
      there is a problem in the opening of the old file (for read) and
      its backup (for write). Adding this barrier seems to make it more robust
      5e3aaf3a
  7. Jul 01, 2015
  8. Jun 17, 2015
  9. May 26, 2015
  10. May 21, 2015
  11. May 17, 2015
    • Giovanni Bussi's avatar
      Cleanup doc · 3cbeed5e
      Giovanni Bussi authored
      Only add to the manual RESTART UPDATE_FROM and UPDATE_UNTIL
      in the actions for which this makes sense
      3cbeed5e
  12. May 05, 2015
  13. Apr 23, 2015
  14. Mar 12, 2015
  15. Mar 11, 2015
  16. Mar 05, 2015
  17. Feb 24, 2015
  18. Feb 22, 2015
  19. Feb 06, 2015
  20. Feb 02, 2015
  21. Jan 27, 2015
  22. Jan 24, 2015
    • Giovanni Bussi's avatar
      Per action restart · 77573a0e
      Giovanni Bussi authored
      Allow individual action to set restart, using RESTART=YES or
      RESTART=NO. By default, RESTART=AUTO, that means that global
      restart settings are used.
      
      Notice that this required to change the way OFile knows about
      restart. Indeed, if the file is linked to an action,
      it should use Action::getRestart instead of PlumedMain::getRestart.
      77573a0e
  23. Dec 10, 2014
  24. Sep 29, 2014
  25. Sep 22, 2014
  26. Sep 10, 2014
  27. Aug 29, 2014
  28. Aug 27, 2014
  29. Aug 08, 2014
  30. Aug 04, 2014
    • Giovanni Bussi's avatar
      Added work accumulator to effective energy · a28158de
      Giovanni Bussi authored
      Work is correctly computed for METAD and MOVINGRESTRAINT, and subtracted
      to the effective energy drift
      
      (cherry picked from commit b450f1525a218e8181f3933779bb17e550384f61)
      
      Conflicts:
      	src/bias/MetaD.cpp
      a28158de
  31. Jul 18, 2014
  32. Jun 25, 2014
  33. Jun 20, 2014
    • Giovanni Bussi's avatar
      Allows for KbT to be passed from MD code and used in METAD · 325a7345
      Giovanni Bussi authored
      I added the possibility to pass kbT from gromacs to plumed.
      To allow compatibility between old and new versions, I used the API
      number. Namely: gromacs checks that plumed API>1; if so, pass the
      temperature.
      
      KbT is only used in METAD so far (not in HISTOGRAM)
      
      Addresses #35
      325a7345
  34. Jun 10, 2014
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