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Search results for python pymatgen

5 search results found

Beautiful Atoms ⭐ 102

Python module for drawing and rendering beautiful atoms and molecules using Blender.

doped is a python package for setting up, parsing and analysing ab-initio defect calculations.

Shakenbreak ⭐ 63

Defect structure-searching employing chemically-guided bond distortions

Scientific Python package for solving Slater Koster tight-binding topological hamiltonian

Dealing with slabs for first principles calculations of surfaces

Structuregraph Helpers ⭐ 7

Helpers for working with pymatgen structure graphs.

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