PYCV: a PLUMED 2 Module Enabling the Rapid Prototyping of Collective Variables in Python

C++ Python Submitted 21 August 2019Accepted 11 October 2019
Review

Editor: @arfon (all papers)
Reviewers: @amritagos (all reviews), @carlocamilloni (all reviews)

Authors

Toni Giorgino (0000-0001-6449-0596)

Citation

Giorgino, (2019). PYCV: a PLUMED 2 Module Enabling the Rapid Prototyping of Collective Variables in Python. Journal of Open Source Software, 4(42), 1773, https://doi.org/10.21105/joss.01773

Tags

PLUMED molecular dynamics collective variables biased sampling gradient

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ISSN 2475-9066