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  1. Apr 25, 2017
  2. Apr 21, 2017
  3. Apr 07, 2017
  4. Mar 28, 2017
  5. Mar 17, 2017
  6. Feb 27, 2016
  7. Jan 08, 2016
  8. Sep 21, 2015
    • Gareth Tribello's avatar
      Moved adding of derivatives to pack into multicolvar base · da9c8fe3
      Gareth Tribello authored
      This is so we can deal with the fact that derivatives can now
      be added to other multicolvar centers even when you are working
      with regular multicolvars.  This is again getting us towards
      having a list of multicolvar objects that changes dynamically
      da9c8fe3
    • Gareth Tribello's avatar
      Moved functionality from input multicolvars to MultiColvarBase · ffd546da
      Gareth Tribello authored
      The idea here is to move towards multicolvar CVs such as the Q4 parameter
      for those water molecules that are forming 4 hydrogen bonds.  We will have
      that the input to any multicolvar can itself be a multicolvar which would allow
      things like this to be computed using a multicolvar filter
      ffd546da
  9. Jul 01, 2015
  10. Jun 17, 2015
    • Gareth Tribello's avatar
      Added keywords to calculate lowest and highest values of multicolvars · 9798c593
      Gareth Tribello authored
      Chnages were made in a number of places to (a) ensure that this
      functionality was available in a large number of multicolvars and
      (b) to prevent duplication of functionality between the new vessels
      for the maximum and minimum and the old colvars for calculating functions
      of all the multicolvars
      9798c593
  11. Jun 12, 2015
  12. Apr 15, 2015
  13. Apr 09, 2015
  14. Mar 25, 2015
    • Gareth Tribello's avatar
      Added new metric and a new multicolvar · 903b98b0
      Gareth Tribello authored
      The new multicolvar measures the inplanedistance i.e. the
      distane from a plane defined by a vector connecting two atoms.
      The new refernce distance measures the dot product distance
      between two points
      903b98b0
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