# DATE: 2017-02-20 CONTRIBUTOR: Mitchell Wood mitwood@sandia.gov CITATION: Wood, M. A. and Thompson, A. P. "Quantum-Accurate Molecular Dynamics Potential for Tungsten" arXiv:1702.07042 [physics.comp-ph]
#
# Definition of SNAP+ZBL potential.
variable zblcutinner equal 4
variable zblcutouter equal 4.8
variable zblz equal 74
# Specify hybrid with SNAP and ZBL
pair_style hybrid/overlay &
zbl ${zblcutinner} ${zblcutouter} &
nn/snap
pair_coeff 1 1 zbl ${zblz} ${zblz}
pair_coeff * * nn/snap W_2940_2017_2.snapcoeff W_2940_2017_2.snapparam W
#Nomenclature on the snap files are Element_DakotaID_Year_Month
