tools:pyretis
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PyRETIS - rare events in Python
PyRETIS is a Python library for rare event molecular simulations with emphasis on methods based on transition interface sampling and replica exchange transition interface sampling. It's documentation includes a full example using CP2K.
For more information visit http://www.pyretis.org.
tools/pyretis.1513024078.txt.gz · Last modified: 2020/08/21 10:15 (external edit)