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alongd committed Jul 31, 2019
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[![MIT license](http://img.shields.io/badge/license-MIT-brightgreen.svg)](http://opensource.org/licenses/MIT)
![Release](https://img.shields.io/badge/version-1.0.0-blue.svg)


<img src="https://github.com/ReactionMechanismGenerator/ARC/blob/master/logo/ARC-logo-small.jpg" alt="arc logo"/>

ARC automates quantum chemical calculations and calculates thermodynamic properties and kinetic rates from 2D representations of species.
**ARC - Automated Rate Calculator** is a software for automating
electronic structure calculations relevant for chemical kinetic modeling.
ARC has many advanced options, yet at its core it is simple: it accepts 2D
graph representations of chemical species (e.g., SMILES or adjacency lists),
and automatically executes, tracks, and processes relevant electronic structure
jobs on user-defined servers. The principal outputs of ARC are thermodynamic properties
(H, S, Cp) and high-pressure limit kinetic rate coefficients for the defined species
and reactions.
(Note that automating transition states is still in progress).

Documentation and instructions are on the <a href="https://github.com/ReactionMechanismGenerator/ARC/wiki">Wiki pages</a> of this project.
Make sure to visit <a href="https://reactionmechanismgenerator.github.io/ARC/index.html">ARC's Documentation</a> page.

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