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Projects in Awesome Lists tagged with dftb

A curated list of projects in awesome lists tagged with dftb .

https://github.com/dftbplus/dftbplus

DFTB+ general package for performing fast atomistic simulations

atomistic-simulations density-functional-theory dftb quantum-mechanics tight-binding

Last synced: 20 Nov 2024

https://github.com/grimme-lab/gbsa-parameters

Parameter files for the GBSA implicit solvation model

dftb dftbplus solvation tight-binding

Last synced: 03 Dec 2024