| Title
A single sentence description.
|
Stillinger-Weber (SW) Model Driver v004 |
|---|---|
| Description | This is a model driver for the generalized Stillinger-Weber (SW) three-body potential supporting multiple species. |
| Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
|
None |
| Contributor |
Mingjian Wen |
| Maintainer |
Mingjian Wen |
| Published on KIM | 2018 |
| How to Cite | |
| Funding | Not available |
| Short KIM ID
The unique KIM identifier code.
| MD_335816936951_004 |
| 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.
| SW__MD_335816936951_004 |
| DOI |
10.25950/f3abd2d6 https://doi.org/10.25950/f3abd2d6 https://commons.datacite.org/doi.org/10.25950/f3abd2d6 |
| KIM Item Type | Model Driver |
| KIM API Version | 2.0.2 |
| Simulator Potential Compatibility |
LAMMPS : sw — partial
This driver is consistent with 'pair_style sw' in the LAMMPS package, but the parameter file has a different format and the driver is less general than the LAMMPS implementation. Specifically, in the KIM parameter file, only independent pairwise parameters are read in and the three-body parameters are generated through geometric averaging. In addition, the costheta_0 parameter is assumed to be the same for all three-body interactions and the tolerance parameter introduced in LAMMPS for efficiency is not supported. See the README file for details. A Python utility "lammps_sw_2_kim_sw.py" is provided to translate LAMMPS 'pair_style sw' parameter files to the KIM model driver format. |
| Programming Language(s)
The programming languages used in the code and the percentage of the code written in each one.
| 89.93% C++ 7.57% Python 2.50% Shell |
| Previous Version | SW__MD_335816936951_003 |