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@HPQC-LABS
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  1. MicroTools MicroTools Public

    Set of tools used for matter modeling

    Python

  2. HaFocksell HaFocksell Public

    Implementation of the hartree-fock method using Haskell, a method for approximately solving electronic many-body systems

  3. mctools mctools Public

    Forked from ajjackson/mctools

    Quick tools for materials chemistry

    Python

  4. SMTG-Bham/sumo SMTG-Bham/sumo Public

    Heavyweight plotting tools for ab initio calculations

    Python 184 78

  5. band-unfolding/bandup band-unfolding/bandup Public

    BandUP: Band Unfolding code for Plane-wave based calculations

    Fortran 96 51

  6. hungpham2017/mcu hungpham2017/mcu Public

    Modeling and Crystallographic Utilities

    Python 43 20