A Schema for Quantum Chemistry
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Latest commit 7669e5e Jun 5, 2018

README.md

QC_JSON_Schema

A JSON Schema for Quantum Chemistry

The purpose of this schema is to provide API like access to pre-existing quantum chemistry packages to enable more complex workflows. The core of this is to avoid parsing ASCII-based output files and place output variables, vectors, matrices in a consistent format that can be easily parsed.

Please see the website for the current specification.