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Alon Grinberg Dana edited this page Jan 9, 2019
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3 revisions
What is ARC?
ARC - Automated Rate Calculator is a software written in Python for automating quantum electronic structure calculations and determination of thermoproperties and reaction rates.
ARC is currently in beta (under development), and features are constantly being added. For example, it performs quite well for thermoproperties determination, yet reaction rates haven't been implemented yet.
In it's current version, ARC is meant to be run on a computer that can SSH into server/s with ESS (electronic structure software). We do plan to eventually to make ARC compatible with running "locally" on a server.