pymolpro
Python package supporting Molpro quantum chemistry
Python package supporting Molpro quantum chemistry
To install this package, run one of the following:
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.
Summary
Python package supporting Molpro quantum chemistry
Last Updated
Jan 11, 2026 at 19:47
License
MIT
Total Downloads
183.9K
Supported Platforms
Documentation
https://molpro.github.io/pymolpro