grimme-lab/xtb: xtb version 6.6.1 ...

Many thanks to Sebastian Ehlert (@awvwgk), Johannes Gorges (@gorges97), Albert Katbashev (@Albkat), Susi Lehtola (@susilehtola), Hagen Neugebauer (@haneug), Christoph Plett (@cplett) and Thomas Rose (@Thomas3R) for contributing to this release. New features Spin-polarization in xTB (#736) Allows man...

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Bibliographic Details
Published in:Global Health Action
Main Authors: Grimme, Stefan, Bannwarth, Christoph, Ehlert, Sebastian
Format: Software
Language:unknown
Published: Zenodo 2023
Subjects:
quantum-chemistry
tight-binding
computational-chemistry
atomistic-simulations
Hagen
Lehtola
Orca
susi
Online Access:https://dx.doi.org/10.5281/zenodo.3712015
https://zenodo.org/record/3712015

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