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Pair_Morse_Smoothed__MD_093895395358_000

Title
A single sentence description.
This is a Model Driver for a C^2 continuous Morse pair potential with polynomial tail
Description This Model Driver implements a C^2 continuous Morse pair potential with its tail given by a fifth-order polynomial. It takes five parameters: (1) the cutoff separation in angstroms, (2) the transition percentage defining the size of the tail, (3) the epsilon parameter in eV, (4) the C parameter in inverse angstroms, and (5) the equilibrium pair separation "Rzero" in angstroms. The potential is C^2 continuous and has zero for its value and first and second derivatives at the cutoff separation.
Disclaimer
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None
Contributor Ryan S. Elliott
Maintainer Ryan S. Elliott
Published on KIM 2015
How to Cite Click here to download this citation in BibTeX format.
Funding Not available
Short KIM ID
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MD_093895395358_000
Extended KIM ID
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Pair_Morse_Smoothed__MD_093895395358_000
Citable Link https://openkim.org/cite/MD_093895395358_000
KIM Item TypeModel Driver
KIM API Version1.6
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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