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  1. vtst-scripts vtst-scripts Public

    Modified scripts to run the VASP Transition State Theory (VTST) Tools

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  2. vasp-analysis vasp-analysis Public

    Shell scripts for the analysis and post-processing of VASP calculations

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    Python scripts to generate point defects and analyse atomistic modelling results for solid-state metal-halide perovskites

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  4. geodesic-interpolate-solids geodesic-interpolate-solids Public

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  5. vasppy vasppy Public

    Forked from bjmorgan/vasppy

    A Python suite for manipulating VASP input and output

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  6. mlip-workflows mlip-workflows Public

    Forked from rohanplatts/MLIP-Workflows

    Useful for: Accelerating computational materials workflows using your choice of MLIP (many accounted for). Includes the acceleration of NEB, Phonon and Bandpath calculation, AND Model benchmarking …

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