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GitHub topics: emsl

tilde-lab/pycrystal

Utilities for ab initio modeling suite CRYSTAL, developed in Turin University

Language: Python - Size: 311 KB - Last synced at: about 2 months ago - Pushed at: 5 months ago - Stars: 12 - Forks: 2

Related Keywords
abinitio 1 abinitio-simulations 1 atomistic-simulations 1 computational-chemistry 1 computational-materials 1 crystal 1 crystal-ab-initio 1 crystal-structure 1 crystallography 1 emsl 1 first-principles 1 gaussian 1 gaussian-lcao 1 materials-science 1