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  • Queen's University
  • Kingston, Ontario

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  • gbasis Public

    Forked from theochem/gbasis

    Python library for Gaussian basis function evaluation & integrals

    Python GNU Lesser General Public License v3.0 Updated Jul 10, 2024

  • AtomDB Public

    Forked from theochem/AtomDB

    An Extended Periodic Table of Neutral and Charged Atomic Species

    Python GNU General Public License v3.0 Updated Apr 28, 2024

  • grid Public

    Forked from theochem/grid

    Python Library for Numerical Molecular Integration.

    Python GNU Lesser General Public License v3.0 Updated Jan 22, 2024

  • iodata Public

    Forked from theochem/iodata

    HORTON module for I/O with different file formats

    Python GNU Lesser General Public License v3.0 Updated Aug 31, 2021

  • chemtools Public

    Forked from theochem/chemtools

    A collection of interpretive chemical tools for analyzing outputs of the quantum chemistry calculations.

    Python GNU General Public License v3.0 Updated Jun 15, 2020