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Pair_Morse_Smoothed__MD_093895395358_001

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
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Funding Not available
Short KIM ID
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MD_093895395358_001
Extended KIM ID
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Pair_Morse_Smoothed__MD_093895395358_001
Citable Link https://openkim.org/cite/MD_093895395358_001
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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