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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.
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
Contributor Mingjian Wen
Maintainer Mingjian Wen
Published on KIM 2018
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Funding Not available
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Citable Link https://openkim.org/cite/MD_335816936951_003
KIM Item TypeModel Driver
KIM API Version1.9.5
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
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