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@qrefine

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  1. eXternal OPTimizer

    Forth 5 1

  2. computes CM5 charges from ORCA output

    Fortran

  3. automatic fragmentation of molecules

    Python 1

  4. geometric transformations of molecular structures

    Python

  5. geometric structure analysis

    Fortran 1

  6. Forked from psi4/psi4

    Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python

    C++

198 contributions in the last year

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Contribution activity

March 2019

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