Pople

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A toolkit for ab initio thermochemistry


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View the Project on GitHub moldis-group/pople

Installing Pople

Installing with pip

pip3 install pople --user

Installing from source

The source code is available for download at https://github.com/moldis-group/pople_package.

Dependencies

orca 4.2.0 and above
python 3.7 and above
numpy

pandas is needed for running the benchmark suites