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SW__MD_335816936951_004

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
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_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://search.datacite.org/works/10.25950/f3abd2d6
KIM Item TypeModel Driver
KIM API Version2.0.2
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
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