forked from lijiext/lammps
17 lines
408 B
Plaintext
17 lines
408 B
Plaintext
# Definition of SNAP potential Ta_Cand06A
|
|
# Assumes 1 LAMMPS atom type
|
|
|
|
variable zblcutinner equal 4
|
|
variable zblcutouter equal 4.8
|
|
variable zblz equal 73
|
|
|
|
# Specify hybrid with SNAP, ZBL
|
|
|
|
pair_style hybrid/overlay &
|
|
zbl ${zblcutinner} ${zblcutouter} &
|
|
snap
|
|
pair_coeff * * zbl 0.0 # Needed to activate hybrid cross-types
|
|
pair_coeff 1 1 zbl ${zblz}
|
|
pair_coeff * * snap Ta06A.snapcoeff Ta Ta06A.snapparam Ta
|
|
|