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pymatgen
pymatgen PublicForked 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…
Python 1
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3D_cube
3D_cube PublicForked from rubenftf/3D_cube
The repository contains a set of python codes which are responsible for generation and investigation of a 3D cubic structure of ferroelectric ceramics using the FlexPDE which solved kinetic and Lap…
Python 1
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random-exchange-atoms
random-exchange-atoms PublicIn this package, you can exchange atoms in crystal structures randomly with pymatgen.
Python 1
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amset
amset PublicForked from hackingmaterials/amset
Electronic transport properties from first-principles calculations
Python 1
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atomate
atomate PublicForked from hackingmaterials/atomate
atomate is a powerful software for computational materials science and contains pre-built workflows.
Python
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