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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.
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
Contributor Ryan S. Elliott
Maintainer Ryan S. Elliott
Published on KIM 2015
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Funding Not available
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Citable Link https://openkim.org/cite/MD_093895395358_000
KIM Item TypeModel Driver
KIM API Version1.6
Programming Language(s)
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100.00% C

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