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The Python Nudged Elastic Band Package

PyNEB provides a highly extensible and general purpose action minimization package for generic potential energy surfaces.

To install via pip, use the following:

pip install python-neb

PyNEB can then be imported using

import pyneb

Key dates

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  • Released:
Latest release

Owner

PyPI data
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1 maintainer

PyPI data
Data sourced directly from PyPI's database.
Avatar for dlay97 from gravatar.com dlay97

Credits

Author: Kyle Godbey, Daniel Lay, Eric Flynn

License

GNU General Public License v3 (GPLv3) (GNU GENERAL PUBLIC LICENSE Version 3, 29 June 2007 Copyright (C) 2007 Free Software Foundation, Inc...)

Requires

Python >=3.9

Classifiers

Report project as malware

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