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conda-forge.org : gb-code

This python package helps you create orthogonal grain boundary supercells for atomistic calculations. The code is based on the coincident site lattice (CSL) formulations for cubic materials (sc, bcc, fcc, diamond).

Registry - Source - JSON
purl: pkg:conda/gb-code
Keywords: crystallography, grain-boundaries, high-throughput-computing, linear-algebra, python
License: MIT
Latest release: over 3 years ago
First release: over 3 years ago
Stars: 37 on GitHub
Forks: 23 on GitHub
See more repository details: repos.ecosyste.ms
Last synced: 29 days ago

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