Name		Name	Last commit message	Last commit date
Latest commit History 6 Commits
README.md		README.md
orcajobcheck		orcajobcheck
orcajobcheck.py		orcajobcheck.py

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orca-scripts

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Various scripts that I have collected from around the web for interacting with the ORCA electronic structure suit. Many of these scripts are from the Orca Input Library, but I intend to collect any script I find or write, license permitting, for working with this fantastic application for doing atomic orbital based DFT and other ab initio electr…

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