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Python package supporting Molpro quantum chemistry

copied from cf-post-staging / pymolpro

Installers

  • noarch v1.15.1

conda install

To install this package run one of the following:
conda install conda-forge::pymolpro

Description

pymolpro is a Python library that provides support for working with the Molpro quantum chemistry package. The principal feature is the Project class that provides access to a complete Molpro job, including input and output files together with metadata such as job status information.


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