| Title
A single sentence description.
|
Driver for the Lennard-Jones model uniformly shifted to have zero energy at the cutoff radius v003 |
|---|---|
| Description | This is a driver for the Lennard-Jones (LJ) 6-12 pair potential model, uniformly shifted by a constant value so as to have zero energy at the cutoff radius. The driver reads in the cutoff radius and the LJ parameters energy (in eV) and sigma (in Angstrom). |
| Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
|
The original Lennard-Jones (LJ) potential does not have a cutoff. Introducing a cutoff and shifting the potential will change its predictions. The LJ potential is appropriate for noble gas elements and other systems where van der Waals interactions are dominant. |
| Contributor |
Ellad B. Tadmor |
| Maintainer |
Ellad B. Tadmor |
| Publication Year | 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_498634107543_003 |
| 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.
| LJ_Shifted__MD_498634107543_003 |
| DOI |
10.25950/e4ff8da6 https://doi.org/10.25950/e4ff8da6 https://search.datacite.org/works/10.25950/e4ff8da6 |
| 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% Fortran |
| Previous Version | LJ_Shifted__MD_498634107543_002 |
| LJ_Shifted__MD_498634107543_003.txz | Tar+XZ | Linux and OS X archive |
| LJ_Shifted__MD_498634107543_003.zip | Zip | Windows archive |