Tomli is a Python library for parsing TOML. Version 2.4.0 and later are compatible with TOML v1.1.0. Older versions are TOML v1.0.0 compatible. A version of Tomli, the tomllib module, was added to the ...
Reads orca output streams (.out/.log/.hess) Can read frequencies, atoms, coordinates, IR spectra, free energy (broken down into its components as well) Can also tell you how the job finished, if it ...
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