A Python script to run Gaussian automatically and in batches.
LGPL-3.0 License
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Full Changelog: https://github.com/njzjz/gaussianrunner/compare/v1.0.33...v1.0.34
Published by njzjz about 1 year ago
Full Changelog: https://github.com/njzjz/gaussianrunner/compare/v1.0.22...v1.0.33
Published by njzjz over 3 years ago
fix: add openbabel-wheel to install_require (#68)