Skip to content

FitSNAP/TestSNAP

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 

History

8 Commits
 
 
 
 
 
 
 
 
 
 
 
 

Repository files navigation

TestSNAP

A proxy for the SNAP force calculation in the LAMMPS molecular dynamics package. When using this software please cite the original SNAP paper:

A. P. Thompson , L.P. Swiler, C.R. Trott, S.M. Foiles, and G.J. Tucker, "Spectral neighbor analysis method for automated generation of quantum-accurate interatomic potentials," J. Comp. Phys., 285 316 (2015).

Copyright (2019) Sandia Corporation. Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains certain rights in this software. This software is distributed under the GNU General Public License

Original author:

Aidan P. Thompson, athomps (at) sandia (dot) gov (Sandia National Labs)
http://www.cs.sandia.gov/~athomps 

Additional authors (alphabetical):

Rahul Gayatri (Lawrence Berkeley National Lab)
Stan Moore (Sandia National Labs)
Steve Plimpton (Sandia National Labs)
Christian Trott (Sandia National Labs)

Releases

No releases published

Packages

No packages published

Languages