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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
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
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