cclib/cclib-data

Computational chemistry logfiles used as regression tests by cclib

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cclib/cclib.github.io

Pages for cclib

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cclib/cclib

Parsers and algorithms for computational chemistry logfiles

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cclib/.github

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cclib/Cclib.jl

Parsers and algorithms for computational chemistry logfiles (Julia bindings to the cclib Python package).

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cclib/QCSchema Fork of MolSSI/QCSchema

A Schema for Quantum Chemistry

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cclib/openchemvault Fork of nitish6174/openchemvault

Framework to build chemistry logfile data repository and access it through web

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cclib/paper2

Second paper about cclib

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cclib/pyquante2 Fork of berquist/pyquante2

Fork of https://github.com/rpmuller/pyquante2 that works for all Python versions

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cclib/sphinx_rtd_theme Fork of readthedocs/sphinx_rtd_theme

Sphinx theme for readthedocs.org

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