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https://github.com/eljost/pysisyphus

Python suite for optimization of stationary points on ground- and excited states PES and determination of reaction paths.
https://github.com/eljost/pysisyphus

excited-states intrinsic-reaction-coordinate optimization quantum-chemistry transition-states

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Python suite for optimization of stationary points on ground- and excited states PES and determination of reaction paths.

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