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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…
alexagriffith/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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