| 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. |
| Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
|
None |
| 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.
| MD_199191711608_001 |
| 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.
| Morse_SigmoidalSmoothed__MD_199191711608_001 |
| DOI |
10.25950/da7ddda5 https://doi.org/10.25950/da7ddda5 https://commons.datacite.org/doi.org/10.25950/da7ddda5 |
| KIM Item Type | Model Driver |
| KIM API Version | 2.0 |
| 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 |
| Morse_SigmoidalSmoothed__MD_199191711608_001.txz | Tar+XZ | Linux and OS X archive |
| Morse_SigmoidalSmoothed__MD_199191711608_001.zip | Zip | Windows archive |