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Library first implementation of the D3 dispersion correction

dftd3.readthedocs.io

Topics

computational-chemistry quantum-chemistry ase pyscf dispersion-correction qcschema

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LGPL-3.0, GPL-3.0 licenses found

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LGPL-3.0
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GPL-3.0
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Releases 14

s-dftd3 version 1.2.1 Latest
Nov 15, 2024
+ 13 releases

Contributors 18
+ 4 contributors

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