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conda-forge/scine-readuct

scine-readuct

Community

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

Installation

To install this package, run one of the following:

Conda
$conda install conda-forge::scine-readuct

Usage Tracking

4.1.0
4.0.0
3.0.0
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