The Python Nudged Elastic Band Package

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License: GNU General Public License v3 (GPLv3)

Author: Kyle Godbey

Requires: Python >=3.9

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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.

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License: GNU General Public License v3 (GPLv3)

Author: Kyle Godbey

Requires: Python >=3.9

Maintainers

Avatar for dlay97 from gravatar.com dlay97 Avatar for kylegodbey from gravatar.com kylegodbey

Classifiers


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0.1.3

0.1.1

0.1.0

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