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NEB optimizer

Project information

An implementation of the nudged elastic band (NEB) method for finding and optimizing reaction paths.

133 Commits
10 Branches
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README

Created on

July 02, 2020

Copy SSH clone URLgit@gitlab.gwdg.de:ccbc-group/neb-optimizer.git
Copy HTTPS clone URLhttps://gitlab.gwdg.de/ccbc-group/neb-optimizer.git

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