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@PVRT-Research

PVRT-Research

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  1. DFT-MCI DFT-MCI Public

    DFT Integration on a grid using fortran

    Forth 1

  2. numgrid numgrid Public

    Forked from dftlibs/numgrid

    Numerical integration grid for molecules.

    C++

  3. orbkit orbkit Public

    Forked from peverati/orbkit

    A Toolbox for Post-Processing Quantum Chemical Wavefunction Data

    Python

  4. cclib cclib Public

    Forked from cclib/cclib

    Parsers and algorithms for computational chemistry logfiles

    Python

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