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.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1