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Releases: dftbparams/mio

mio-1-1

18 Dec 23:27
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v1.1.0
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aradi Bálint Aradi
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Parameter set mio-1-1

Density Functional Tight Binding (DFTB) parameter set for calculating biological and organic molecules using the self-consistent charges (SCC) model.

Before applying this parameter set in your work, consult the README file to ensure correct usage.

License Information

The parameter set is distributed under the Creative Commons Attribution-ShareAlike 4.0 International (CC-BY-SA) license.

Important Note: The creators of this work require that you adhere to the attribution requirements specified by this license. If you use this data, either in part or in full, in any research or publication, you must properly cite the scientific references associated with this material. The necessary citations are listed in the README file and must be included in all resulting publications.

Assets 4
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