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pymolpro

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Python package supporting Molpro quantum chemistry

Installation

To install this package, run one of the following:

Conda
$conda install conda-forge::pymolpro

Usage Tracking

1.16.15
1.16.14
1.16.13
1.16.12
1.16.11
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Downloads (Last 6 months): 0

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.

About

Summary

Python package supporting Molpro quantum chemistry

Last Updated

Jan 11, 2026 at 19:47

License

MIT

Total Downloads

183.8K

Supported Platforms

noarch