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SNAP__MD_536750310735_000

Title
A single sentence description.
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).
Disclaimer
A statement of applicability provided by the contributor, informing users of the intended use of this KIM Item.
None
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 yafshar
Maintainer yafshar
Creator Yaser Afshar
Publication Year 2019
Item Citation

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] 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

Click here to download the above citation in BibTeX format.
Funding Not available
Short KIM ID
The unique KIM identifier code.
MD_536750310735_000
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.
SNAP__MD_536750310735_000
DOI 10.25950/f4fae493
https://doi.org/10.25950/f4fae493
https://search.datacite.org/works/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



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