A potential energy surface explorer based on the QCArchive infrastructure
Copyright (c) 2023, stvogt
Project based on the Computational Molecular Science Python Cookiecutter version 1.1.
QCMM/QCExplore
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A potential energy surface explorer based on the QCArchive infrastructure
Copyright (c) 2023, stvogt
Project based on the Computational Molecular Science Python Cookiecutter version 1.1.