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  1. Jun 03, 2019
  2. May 30, 2019
  3. May 27, 2019
  4. May 07, 2019
  5. Apr 02, 2019
  6. Mar 29, 2019
    • carlocamilloni's avatar
      PLUMED requestAtoms in action with value has · 6c668e53
      carlocamilloni authored
      now an option to avoid clearDependecies.
      This allows to have in a single class actionAtomistic and actionWithArguments
      and actually use them together
      
      this is used in Action build on MetainferenceBase where requestAtomst(atoms, false)
      6c668e53
  7. Mar 19, 2019
  8. Jan 25, 2019
  9. Dec 18, 2018
  10. Dec 17, 2018
  11. Dec 08, 2018
  12. Nov 27, 2018
  13. Nov 19, 2018
  14. Nov 18, 2018
  15. Nov 13, 2018
    • Giovanni Bussi's avatar
      Small consistency fix in wrapper · 164eb8d3
      Giovanni Bussi authored
      I changed Plumed::invalid() to Plumed::makeInvalid() and added a new function
      Plumed::makeValid(). These names are more inline with stdlib names
      (e.g. make_shared), though with our conventions for capitalization.
      
      Hopefully there's no code yet using this (beta) interface.
      
      In addition, I made it possible to use a macro to change the behavior
      of the default constructor to makeInvalid(). This might be
      useful in python wrappers to avoid opening the library twice
      (python objects always use the "nullary" - default - constructor first).
      164eb8d3
  16. Nov 10, 2018
  17. Oct 28, 2018
  18. Oct 24, 2018
  19. Oct 23, 2018
  20. Oct 17, 2018
  21. Oct 16, 2018
    • carlocamilloni's avatar
      link plumed to arrayfire to build gpu enabled code · 40cecbfb
      carlocamilloni authored
      in particular a gpu version of SAXS is added in ISDB
      this is just a SAXS collective variable implemented to run on GPU
      a regtest is added. This was implemented with an old version of
      arrayfire so it should be checked wheter it can be made more modern
      a regtest is also added
      40cecbfb
  22. Oct 15, 2018
  23. Oct 02, 2018
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