11 lines
446 B
Text
11 lines
446 B
Text
QCElemental is a resource module for quantum chemistry containing physical
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constants and periodic table data from NIST and molecule handlers.
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Periodic Table and Physical Constants data are pulled from NIST srd144 and
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srd121, respectively (details) in a renewable manner (class around
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NIST-published JSON file).
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This project also contains a generator, validator, and translator for Molecule
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QCSchema.
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WWW: https://github.com/MolSSI/QCElemental
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