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--- tools:pyretis [2017/12/11 20:26]
oschuett
+++ tools:pyretis [2020/08/21 10:15]
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-====== PyRETIS ======
-{{ :tools:pyretis_logo.png?nolink&600 |}}
-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 [[http://www.pyretis.org/examples/examples-cp2k-hydrogen.html| a full example]] using CP2K.
-For more information visit [[http://www.pyretis.org]].

CP2K Open Source Molecular Dynamics