scine-readuct

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ReaDuct allows you to carry out structure optimizations, transition state searches and intrinsic reaction coordinate (IRC) calculations among other things

Copied fromcf-staging / scine-readuct

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Installation

To install this package, run one of the following:

Conda

$conda install conda-forge::scine-readuct

Usage Tracking

Version

3 / 8 versions selected

Downloads (Last 6 months): 0

About

Summary

ReaDuct allows you to carry out structure optimizations, transition state searches and intrinsic reaction coordinate (IRC) calculations among other things

Last Updated

Aug 12, 2022 at 14:32

License

BSD-3-Clause

Supported Platforms

macOS-arm64

linux-64

linux-ppc64le

linux-aarch64

macOS-64

Home

https://scine.ethz.ch/

GitHub Repository

https://github.com/qcscine/readuct