import multi-element compatible pair style edip as edip/multi

This commit is contained in:
Axel Kohlmeyer
2017-05-16 17:40:04 -04:00
parent 06c151421c
commit 35e92733e9
18 changed files with 2146 additions and 8 deletions

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# Test of MEAM potential for SiC system
units metal
boundary p p p
atom_style atomic
read_data data.SiC
pair_style edip/multi
pair_coeff * * SiC.edip Si C
mass 1 28.085
mass 2 12.001
neighbor 1.0 bin
neigh_modify delay 1
fix 1 all nve
thermo 10
timestep 0.001
#dump 1 all atom 50 dump.meam
#dump 2 all image 10 image.*.jpg element element &
# axes yes 0.8 0.02 view 60 -30
#dump_modify 2 pad 3 element Si C
#dump 3 all movie 10 movie.mpg element element &
# axes yes 0.8 0.02 view 60 -30
#dump_modify 3 pad 3 element Si C
run 100