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Spectral neighbor analysis potential (SNAP) model driver v000
Description Spectral neighbor analysis potential (SNAP)[1] model driver. SNAP is a machine learning potential that uses bispectrum components to characterize the local neighborhood of each atom in a very general manner. The driver is written in C++ and it expects a SNAP coefficient file followed by a SNAP parameter file.

1. Thompson, Swiler, Trott, Foiles, Tucker, "Spectral neighbor analysis method for automated generation of quantum-accurate interatomic potentials," J Comp Phys, 285, 316 (2015).
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
Content Origin The model driver is implemented based on the SNAP package adapted from the LAMMPS software package and amended and updated by Yaser Afshar.

LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator http://lammps.sandia.gov
Contributor Yaser Afshar
Maintainer Yaser Afshar
Published on KIM 2019
How to Cite

This Model Driver originally published in [1] is archived in OpenKIM [2-4].

[1] Thompson AP, Swiler LP, Trott CR, Foiles SM, Tucker GJ. Spectral neighbor analysis method for automated generation of quantum-accurate interatomic potentials. Journal of Computational Physics. 2015;285:316–30. doi:10.1016/j.jcp.2014.12.018

[2] Afshar Y. Spectral neighbor analysis potential (SNAP) model driver v000. OpenKIM; 2019. doi:10.25950/f4fae493

[3] Tadmor EB, Elliott RS, Sethna JP, Miller RE, Becker CA. The potential of atomistic simulations and the Knowledgebase of Interatomic Models. JOM. 2011;63(7):17. doi:10.1007/s11837-011-0102-6

[4] Elliott RS, Tadmor EB. Knowledgebase of Interatomic Models (KIM) Application Programming Interface (API). OpenKIM; 2011. doi:10.25950/ff8f563a

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Funding Not available
Short KIM ID
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Extended KIM ID
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DOI 10.25950/f4fae493
KIM Item TypeModel Driver
KIM API Version2.0
Programming Language(s)
The programming languages used in the code and the percentage of the code written in each one.
98.89% C++
1.11% Shell

SNAP__MD_536750310735_000.txz Tar+XZ Linux and OS X archive
SNAP__MD_536750310735_000.zip Zip Windows archive
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