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  1. Aug 31, 2019
  2. Jun 06, 2017
    • 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
  3. Oct 08, 2015
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