| Title
A single sentence description.
|
Three-body Stillinger-Weber (SW) Model Driver |
|---|---|
| Description | This is a model driver for the generalized Stillinger-Weber (SW) three-body potential supporting multiple species. It 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. |
| 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 | Click here to download this citation in BibTeX format. |
| Funding | Not available |
| Short KIM ID
The unique KIM identifier code.
| MD_335816936951_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.
| Three_Body_Stillinger_Weber__MD_335816936951_003 |
| Citable Link | https://openkim.org/cite/MD_335816936951_003 |
| KIM Item Type | Model Driver |
| KIM API Version | 1.9.5 |
| Programming Language(s)
The programming languages used in the code and the percentage of the code written in each one.
| 80.75% C 19.25% Python |
| Previous Version | Three_Body_Stillinger_Weber__MD_335816936951_002 |
| Three_Body_Stillinger_Weber__MD_335816936951_003.txz | Tar+XZ | Linux and OS X archive |
| Three_Body_Stillinger_Weber__MD_335816936951_003.zip | Zip | Windows archive |