{ "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.\n\nLAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator http://lammps.sandia.gov" "contributor-id" "f9afb302-b4eb-4b55-a4e3-676ba64bfb77" "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.\r\n\r\n1. Thompson, Swiler, Trott, Foiles, Tucker, \"Spectral neighbor analysis method for automated generation of quantum-accurate interatomic potentials,\" J Comp Phys, 285, 316 (2015)." "developer" [ "8e094560-62f1-47e7-9d39-6a6748d0418d" "1fb1205a-ec12-487f-aa25-76c34af1a976" "84595539-17bf-43da-981d-fa6ba2339f08" "0bd1b457-8e6a-46e9-8daf-b7388550ec15" "1955497a-4f9a-4f5d-a2ec-370b9b08fc93" ] "doi" "10.25950/f4fae493" "domain" "openkim.org" "executables" [] "extended-id" "SNAP__MD_536750310735_000" "implementer" [ "f9afb302-b4eb-4b55-a4e3-676ba64bfb77" ] "kim-api-version" "2.0" "maintainer-id" "f9afb302-b4eb-4b55-a4e3-676ba64bfb77" "publication-year" "2019" "source-citations" [ { "author" "Thompson, A.P. and Swiler, L.P. and Trott, C.R. and Foiles, S.M. and Tucker, G.J." "doi" "10.1016/j.jcp.2014.12.018" "journal" "Journal of Computational Physics" "pages" "316--330" "recordkey" "MD_536750310735_000a" "recordtype" "article" "title" "Spectral neighbor analysis method for automated generation of quantum-accurate interatomic potentials" "volume" "285" "year" "2015" } ] "title" "Spectral neighbor analysis potential (SNAP) model driver v000" }