add some simple tests for displace_atoms

This commit is contained in:
Axel Kohlmeyer
2015-10-26 19:15:26 -04:00
parent b54bccf896
commit 4ef17e1132
3 changed files with 70 additions and 0 deletions

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@ -0,0 +1,22 @@
timer off
lattice fcc 0.8442
region box block 0 10 0 10 0 10
create_box 1 box
create_atoms 1 box
mass 1 1.0
velocity all create 3.0 87287
pair_style lj/cut 2.5
pair_coeff 1 1 1.0 1.0
neighbor 0.3 bin
neigh_modify every 20 delay 0 check no
displace_atoms all move 0.0 0.0 0.0
fix 1 all nve
thermo 50
run 200

View File

@ -0,0 +1,22 @@
timer off
lattice fcc 0.8442
region box block 0 10 0 10 0 10
create_box 1 box
create_atoms 1 box
mass 1 1.0
velocity all create 3.0 87287
pair_style lj/cut 2.5
pair_coeff 1 1 1.0 1.0
neighbor 0.3 bin
neigh_modify every 20 delay 0 check no
displace_atoms all move 0.01 -0.01 0.01
fix 1 all nve
thermo 50
run 200

View File

@ -0,0 +1,26 @@
timer off
lattice fcc 0.8442
region box block 0 10 0 10 0 10
create_box 1 box
create_atoms 1 box
mass 1 1.0
velocity all create 3.0 87287
pair_style lj/cut 2.5
pair_coeff 1 1 1.0 1.0
neighbor 0.3 bin
neigh_modify every 20 delay 0 check no
variable randx atom random(0.0,0.01,1111)
variable randy atom random(0.0,0.01,1111)
variable randz atom random(0.0,0.01,1111)
displace_atoms all move v_randx v_randy v_randz
fix 1 all nve
thermo 50
run 200