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update vashishta pair style example

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Axel Kohlmeyer
2016-09-08 17:21:14 -04:00
parent 71eed1d612
commit 7de5143050
3 changed files with 3 additions and 1 deletions
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examples/vashishta/InP.vashishta Executable file → Normal file
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examples/vashishta/SiO.1990.vashishta Executable file → Normal file
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examples/vashishta/in.sio2.table
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@ -3,6 +3,8 @@
units metal
boundary p p p
variable ntable index 100000
atom_style atomic
read_data data.quartz
@ -11,7 +13,7 @@ replicate 4 4 4
velocity all create 2000.0 277387 mom yes
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
neighbor 0.3 bin