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Repository for the Atomistic Grain Boundary and Interface Utility.
Forked from phonopy/phonopy
Forked from JaGeo/AtomicContributions
Vizualisation of Atomic Contributions to Phonon Modes
Forked from materialsproject/custodian
A simple, robust and flexible just-in-time job management framework in Python.
Forked from hackingmaterials/atomate
atomate is a powerful software for computational materials science and contains pre-built workflows.
Forked from materialsproject/pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It i…
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