| Title
A single sentence description.
|
Morse pair potential with C^2 continuous 5th order polynomial tail v002 |
|---|---|
| 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
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
|
None |
| Contributor |
Ryan S. Elliott |
| 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_093895395358_002 |
| 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_QuinticSmoothed__MD_093895395358_002 |
| DOI |
10.25950/759b56b8 https://doi.org/10.25950/759b56b8 https://commons.datacite.org/doi.org/10.25950/759b56b8 |
| 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_QuinticSmoothed__MD_093895395358_001 |
| Morse_QuinticSmoothed__MD_093895395358_002.txz | Tar+XZ | Linux and OS X archive |
| Morse_QuinticSmoothed__MD_093895395358_002.zip | Zip | Windows archive |