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University of Bath
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VASP-Examples
VASP-Examples PublicA collection of examples for running different types of VASP calculations.
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VASP-GPU-Benchmarking
VASP-GPU-Benchmarking PublicA project to benchmark the performance of the GPU-enabled versions of VASP on the University of Bath's HPC cluster.
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Transformer
Transformer PublicA Python library for transforming structures by performing atomic substitutions.
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VASPToGULP
VASPToGULP PublicA collection of scripts for converting output from VASP to input for GULP.
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MolecularCrystalPhononAnimation
MolecularCrystalPhononAnimation PublicA set of scripts for generating GIF animations of phonon modes in molecular crystals.
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