This python package, based on PySCF, provides the semiempirical TDDFT-ris method, offering a quick and accurate calculation of TDDFT UV-vis absorption spectra. The TDDFT-ris calculation starts from a ...
This package standardizes the handling of paths in a Python project by allowing all paths to be relative to the project repo root. The package discovers the project root based on the location of a ...
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