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  1. Jul 26, 2013
  2. Jul 25, 2013
  3. Jul 24, 2013
    • Gareth Tribello's avatar
      Removed clash in OFile in previous commit. · f7e0f3df
      Gareth Tribello authored
      Having the backup string specified in OFile::open leads to clashes
      with the routine that sets open using w+, w, rw etc.  It is thus changed
      so that you can set the backup string to use with a separate method in the class
      f7e0f3df
    • Gareth Tribello's avatar
      Fixed small things in analysis · 73ed75ec
      Gareth Tribello authored
      Made it so that virtual routine is not called from constructor.  If the calculation
      is terminated during the analysis phase then the analysis is now restarted when
      the calculation reaches update on the first loop.  I also removed the duplicated
      backup code that was in analysis.  Backup is now done by the routines in OFile.
      This routine is now a little more flexible in that you can specify the string
      in the backup name.
      73ed75ec
    • Gareth Tribello's avatar
      Added fixes to checkpoint writing in analysis · 18cf79bb
      Gareth Tribello authored
      Checkpoint is appended in restart mode and overwritten when opened at
      start of calculation with no restart or when analysis is completed.  Most
      of this is looked after within OFile now
      18cf79bb
  4. Jul 23, 2013
  5. Jul 21, 2013
    • Giovanni Bussi's avatar
      Typo · f6798ad8
      Giovanni Bussi authored
      f6798ad8
    • Giovanni Bussi's avatar
      Fixes #2 · d4f65266
      Giovanni Bussi authored
      (I refer to issue number 2 in github to test if it
      gets closed).
      
      Now replica exchange can be used with plumed even if plumed
      does not do anything at the exchange step.
      d4f65266
    • Giovanni Bussi's avatar
      Fixes (cppcheck) · bf400b9e
      Giovanni Bussi authored
      bf400b9e
  6. Jul 19, 2013
    • Giovanni Bussi's avatar
      Fixed permissions upon install · 803e05bc
      Giovanni Bussi authored
      Permissions of installed files were not correct. Now after
      install all permissions are reset so that "group" and "others"
      can read and execute everything
      803e05bc
  7. Jul 15, 2013
  8. Jul 14, 2013
  9. Jul 11, 2013
  10. 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
  11. Jul 02, 2013
  12. Jun 25, 2013
  13. Jun 21, 2013
  14. Jun 20, 2013
  15. Jun 18, 2013
  16. Jun 13, 2013
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