| Title
A single sentence description.
|
Efficient KIM model driver for the multi-species Lennard-Jones model with truncated or shifted cutoff |
|---|---|
| Description | This is a driver, tuned for efficiency, for the Lennard-Jones (LJ) 6-12 pair potential model. It supports the option to be truncated to have zero energy above a specified cutoff radius or shifted to have a continuous energy at the cutoff radius. The driver is capable of supporting multiple species interactions. If only "like-like" interactions are specified then the driver use the Lorentz-Berthelot mixing rules to generate the unlike interaction parameters. See the README file for details. Version 002 fixes the unit conversion for the cutoffs and sigma values. |
| 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_414112407348_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.
| LennardJones612__MD_414112407348_002 |
| Citable Link | https://openkim.org/cite/MD_414112407348_002 |
| KIM Item Type | Model Driver |
| KIM API Version | 1.6 |
| Programming Language(s)
The programming languages used in the code and the percentage of the code written in each one.
| 93.93% C++ 6.07% Shell |
| Previous Version | LennardJones612__MD_414112407348_001 |
| LennardJones612__MD_414112407348_002.txz | Tar+XZ | Linux and OS X archive |
| LennardJones612__MD_414112407348_002.zip | Zip | Windows archive |