/votca-scripts

List of tools I use to make votca-xtp more useful

Primary LanguageJupyter NotebookApache License 2.0Apache-2.0

Python-suite

List of tools I use to make votca-xtp more useful

libraries used

lxml numpy scipy matplotlib sqlite3 MD Analysis http://www.mdanalysis.org/

This library was created by Jens Wehner and Carl Poelking