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Hennig Materials Theory Lab

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  1. VASPsol VASPsol Public

    Solvation model for the plane wave DFT code VASP.

    Fortran 158 86

  2. MPInterfaces MPInterfaces Public

    Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and without ligands/solvents).

    Python 75 47

  3. GASP-python GASP-python Public

    Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.

    Python 57 30

  4. gasp gasp Public

    Genetic Algorithm for Structure and Phase Prediction

    Java 20 3

  5. electronic-structure-visualization electronic-structure-visualization Public

    Visualizations

    Python 14 6

  6. symbolic-regression-utilities symbolic-regression-utilities Public

    Python 11 6

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