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Morse_SigmoidalSmoothed__MD_199191711608_001

Title
A single sentence description.
Morse pair potential with sigmoidal smoothing at cutoff v001
Description This Model Driver implements a logistic function as the cutoff for the Morse pair potential. It takes five parameters: (1) the cutoff separation in angstroms, (2) the logistic Width, (3) the epsilon parameter in eV, (4) the C parameter in inverse angstroms, and (5) the equilibrium pair separation 'Rzero' in angstroms.
Disclaimer
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None
Contributor Hao Xu
Maintainer Ryan S. Elliott
Published on KIM 2018
How to Cite Click here to download this citation in BibTeX format.
Funding Not available
Short KIM ID
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MD_199191711608_001
Extended KIM ID
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Morse_SigmoidalSmoothed__MD_199191711608_001
DOI 10.25950/da7ddda5
https://doi.org/10.25950/da7ddda5
https://search.datacite.org/works/10.25950/da7ddda5
KIM Item TypeModel Driver
KIM API Version2.0
Programming Language(s)
The programming languages used in the code and the percentage of the code written in each one.
100.00% C
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