User Tools

Site Tools


tools:pyretis

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: 2017/12/11 21:27 by oschuett