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  1. autokbisw autokbisw Public

    Automatic keyboard input language switching for macOS.

    Swift 221 9

  2. molsym molsym Public

    Analytic point group algebra for molecular symmetry operations.

    Python 5 2

  3. ffparse ffparse Public

    Output file parser for XMCQDPT2 calculations from the Firefly computational chemistry program.

    Python

  4. vchamtools vchamtools Public

    Framework for scanning molecular electronic potential energy hypersurfaces and parametrizing a vibronic coupling model Hamiltonian (VCHAM) from the results.

    Python 1 1