A wrapper for Quantum Chemistry engines that adheres to the MolSSI (molssi.org) QCSchema.


Info: This package contains files in non-standard labels.

conda install

  • noarch  v0.8.1
To install this package with conda run one of the following:
conda install -c conda-forge qcengine
conda install -c conda-forge/label/gcc7 qcengine
conda install -c conda-forge/label/cf201901 qcengine


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