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  1. Sep 20, 2016
    • Giovanni Bussi's avatar
      Fix for METAD multiple walkers · 667da1b3
      Giovanni Bussi authored
      When using METAD with file-based multiple walkers and many processes
      launched with mpirun (e.g. with gromacs -multi) replica suffix is
      not added to hills file.
      
      Contributed by Marco De La Pierre
      667da1b3
  2. Sep 14, 2016
  3. Sep 10, 2016
  4. Jul 05, 2016
  5. Jul 04, 2016
  6. Jun 28, 2016
  7. Jun 20, 2016
  8. May 10, 2016
  9. May 09, 2016
  10. May 03, 2016
  11. Apr 26, 2016
    • Carlo Camilloni's avatar
      MetaD restart from GRID · 44e188fb
      Carlo Camilloni authored
      [makedoc]
      
      close #21
      44e188fb
    • Carlo Camilloni's avatar
      RESTART from GRID for METAD and PBMETAD · 5c4522a4
      Carlo Camilloni authored
      - added the restart from grid to PBMETAD
      - more error checking
      5c4522a4
    • Carlo Camilloni's avatar
      METAD: changed the behavior of restart from GRID · 37109cee
      Carlo Camilloni authored
      - when restart from GRID (RGRID+RESTART) doens't read the HILLS (but continue to append)
      - if not restart then the HILLS are added to the existing GRID
      - the grid is not external anymore, in this way when you write the grid you write the total one
      - grid files are written only once in case of multiple walkers
      NOTE: the grid is not modified for the BIASFACTOR because the BIASFACTOR is not currently stored
      in the grid, this means that if you restart from a grid
      37109cee
  12. Apr 22, 2016
    • Carlo Camilloni's avatar
      MetaD: · 63501828
      Carlo Camilloni authored
      - reformatted
      - restart from a grid doens't read HILLS
      - in MW grid are only written once as for HILLS
      63501828
  13. Mar 18, 2016
  14. Mar 02, 2016
    • Giovanni Bussi's avatar
      cppheck · 417f97b8
      Giovanni Bussi authored
      I cleaned up some of the (innocuous) warnings
      417f97b8
  15. Jan 08, 2016
  16. Nov 24, 2015
  17. Nov 23, 2015
  18. Oct 29, 2015
  19. Oct 14, 2015
    • Giovanni Bussi's avatar
      ctime header · 549a9a47
      Giovanni Bussi authored
      Same as #171 but using C++ standard include file <ctime>
      
      Closes #171
      549a9a47
  20. Oct 09, 2015
  21. Oct 08, 2015
  22. Oct 07, 2015
  23. Oct 06, 2015
  24. Oct 05, 2015
  25. 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
  26. 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
  27. Jul 01, 2015
  28. Jun 17, 2015
  29. May 26, 2015
  30. May 21, 2015
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