Jump to: Files | Wiki


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.
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
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
The unique KIM identifier code.
Extended KIM ID
The long form of the KIM ID including a human readable prefix (100 characters max), two underscores, and the Short KIM ID. Extended KIM IDs can only contain alpha-numeric characters (letters and digits) and underscores and must begin with a letter.
DOI 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
Previous Version Morse_SigmoidalSmoothed__MD_199191711608_000

Models using this Model Driver

Wiki is ready to accept new content.

Login to edit Wiki content