Skip to content
Snippets Groups Projects
Commit 7de51430 authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

update vashishta pair style example

parent 71eed1d6
No related branches found
No related tags found
No related merge requests found
File mode changed from 100755 to 100644
File mode changed from 100755 to 100644
...@@ -3,6 +3,8 @@ ...@@ -3,6 +3,8 @@
units metal units metal
boundary p p p boundary p p p
variable ntable index 100000
atom_style atomic atom_style atomic
read_data data.quartz read_data data.quartz
...@@ -11,7 +13,7 @@ replicate 4 4 4 ...@@ -11,7 +13,7 @@ replicate 4 4 4
velocity all create 2000.0 277387 mom yes velocity all create 2000.0 277387 mom yes
displace_atoms all move 0.05 0.9 0.4 units box displace_atoms all move 0.05 0.9 0.4 units box
pair_style vashishta/table 100000 0.2 pair_style vashishta/table ${ntable} 0.2
pair_coeff * * SiO.1990.vashishta Si O pair_coeff * * SiO.1990.vashishta Si O
neighbor 0.3 bin neighbor 0.3 bin
......
0% Loading or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment