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  1. Feb 01, 2016
    • Giovanni Bussi's avatar
      Added Barrier · c9e9c366
      Giovanni Bussi authored
      This barrier is apparently useless since it comes
      just before a Bcast.
      
      Anyway, it looks like it is solving an issue that appeared on
      TRAVIS (at least on my laptop) so I add it here.
      
      Related to #183
      c9e9c366
  2. Jan 27, 2016
  3. Jan 14, 2016
  4. Jan 08, 2016
  5. Dec 21, 2015
  6. Dec 20, 2015
  7. Oct 20, 2015
  8. Oct 09, 2015
  9. Aug 07, 2015
    • Gareth Tribello's avatar
      Small fix to bug in KernelFunctions · b0def55e
      Gareth Tribello authored
      The kernels were normalised incorrectly and their derivative when the
      covariance matrix was non-diagonal was computed wrongly.  This check
      affects a number of regtests.  analysis/rt0 changes beecause the kernels
      were normalised incorrectly.  basic/rt44, basic/rt48, basic/rt49, basic/rt52
      change because the derivatives output in the fes file have changed sign
      b0def55e
  10. Aug 04, 2015
  11. Aug 03, 2015
  12. Jul 30, 2015
    • Giovanni Bussi's avatar
      Changed tolerance in lattice reduction · bff20f75
      Giovanni Bussi authored
      Lattice reduction is used in plumed to convert box to its
      "least skewed" form. I changed a bit the threashold since it
      was giving problems with high optimization flags.
      Additionally, I added some warning when too many iterations
      are performed (which indicates a numerical issue)
      bff20f75
  13. Jul 28, 2015
    • Giovanni Bussi's avatar
      Fixes #163 · fd425317
      Giovanni Bussi authored
      Properly instantiate templates when using high optimization flags
      with gcc
      fd425317
  14. Jul 01, 2015
  15. Jun 26, 2015
  16. Jun 24, 2015
  17. Jun 22, 2015
  18. Jun 12, 2015
  19. Jun 10, 2015
  20. Jun 08, 2015
  21. Jun 07, 2015
  22. Jun 05, 2015
    • Giovanni Bussi's avatar
      Changed convention for replica suffix · 8b6e4fc4
      Giovanni Bussi authored
      Replica suffix is now appended *before* file extension. This is done
      irrespectively of the specific extension, so also for plumed.dat and
      traj.xyz. As such, I had to change a lot of regtests
      8b6e4fc4
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