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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.
Contributor xuxx0620
Maintainer xuxx0620
Author Hao Xu
Publication Year 2018
Source Citations
A citation to primary published work(s) that describe this KIM Item.

Jones JE (1924) On the Determination of Molecular Fields. II. From the Equation of State of a Gas. Proceedings of the Royal Society of London A: Mathematical, Physical and Engineering Sciences 106(738):463–477. doi:10.1098/rspa.1924.0082

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Short KIM ID
The unique KIM identifier code.
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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