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  1. May 27, 2019
  2. Jan 11, 2019
  3. Mar 12, 2018
  4. Nov 30, 2017
  5. Jun 08, 2017
  6. Jun 06, 2017
    • Giovanni Bussi's avatar
      astyle · 50e2e318
      Giovanni Bussi authored
      50e2e318
    • James Dama's avatar
      Adding Transition Tempering to METAD (#233) · b5d4c630
      James Dama authored
      * Added on-the-fly tracking of a METAD action's maximum bias.
      
      * Added nearest grid neighbor functions to tools/Grid
      
      * Added path barrier finding routine for gridded functions in tools/Grid.
      
      * Added on the fly tracking of transition bias quantities in METAD.
      
      * Added 1D and 2D METAD transition bias calculation regtests.
      
      * Added transition tempering to METAD.
      
      * Added regtest for transition tempering including TTBIASFACTOR, TTBIASTHRESHOLD, and TTALPHA.
      
      * Added regtest for transition tempering including TTBIASFACTOR, TTBIASTHRESHOLD, and TTALPHA.
      
      * Update MetaD.cpp
      
      removed trailing character, line 398
      b5d4c630
  7. May 11, 2017
  8. May 04, 2017
    • Giovanni Bussi's avatar
      headers · 9d462172
      Giovanni Bussi authored
      Notice that almost all files were updated with the astyle commit
      2813d759
      
      Year in header is here updated to 2017
      9d462172
  9. Apr 25, 2017
  10. Apr 21, 2017
  11. Mar 28, 2017
  12. Mar 05, 2017
  13. Sep 30, 2016
  14. Sep 16, 2016
  15. Jul 29, 2016
    • Giovanni Bussi's avatar
      Fixed include order · 836d4ade
      Giovanni Bussi authored
      Given header file.h, it is good practice to have a file file.cpp
      that includes it as first header.
      
      I just fix the order of includes here. There are still several
      headers which do not have a corresponding cpp file, and also
      a few that are not included anywhere (which is obviosuly an error).
      
      I will fix them in a later commit.
      836d4ade
  16. May 02, 2016
  17. Apr 26, 2016
  18. Mar 02, 2016
    • Giovanni Bussi's avatar
      cppheck · 417f97b8
      Giovanni Bussi authored
      I cleaned up some of the (innocuous) warnings
      417f97b8
  19. Feb 29, 2016
  20. Jan 26, 2016
  21. Jan 22, 2016
    • Gareth Tribello's avatar
      Fixes for willard chandler surfaces · ccf192f2
      Gareth Tribello authored
      The original implementation I did of this was numerically unstable because
      a minimisation rather than a root finding algorithm was being used.  In this
      new implementation I have also changed it so that you can specify an upper
      and lower bound in your search for a surface
      ccf192f2
  22. Jan 08, 2016
  23. Dec 14, 2015
  24. Dec 06, 2015
  25. May 26, 2015
  26. May 21, 2015
  27. Apr 09, 2015
  28. Mar 18, 2015
  29. Sep 24, 2014
  30. Aug 27, 2014
  31. Jul 18, 2014
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