`pyqrc`

A Python program to project computed structures along normal modes for Quick Reaction Coordinate calculations

Ecosystem
pypi.org

Latest Release
2.4.0
about 1 month ago

Versions
4

Downloads
60 last month

Dependent Repos
1

Readme

Keywords
computational-chemistry thermochemistry gaussian orca qchem imaginary-frequencies intrinsic-reaction-coordinate normal-modes transition-state frequency-calculation irc qrc reaction-coordinate transition-structure

Stars	45 on GitHub
Forks	16 on GitHub

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