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tools:pyretis [2017/12/11 20:27]
oschuett
tools:pyretis [2020/08/21 10:15]
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-====== PyRETIS - rare events in Python ====== 
-{{ :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. 
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-For more information visit [[http://www.pyretis.org]]. 
tools/pyretis.txt ยท Last modified: 2020/08/21 10:15 (external edit)