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Added in.melt-cut-coul-cut and in.melt-cut-coul-cut-omp

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This commit is contained in:
Peter Shannon
2010-06-01 12:04:31 -04:00
parent 7537df44a6
commit 29b075c8a2
2 changed files with 50 additions and 0 deletions
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25
tests/in.melt-cut-coul-cut Normal file
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# 3d Lennard-Jones melt
units lj
atom_style full
lattice fcc 0.8442
region box block 0 20 0 20 0 20
create_box 1 box
create_atoms 1 box
mass 1 1.0
velocity all create 3.0 87287
pair_style lj/cut/coul/cut 2.5
pair_coeff 1 1 1.0 1.0 2.5
neighbor 0.3 bin
neigh_modify every 20 delay 0 check no
fix 1 all nve
#dump id all atom 50 dump.melt
thermo 50
run 250

25
tests/in.melt-cut-coul-cut-omp Normal file
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@ -0,0 +1,25 @@
# 3d Lennard-Jones melt
units lj
atom_style full
lattice fcc 0.8442
region box block 0 20 0 20 0 20
create_box 1 box
create_atoms 1 box
mass 1 1.0
velocity all create 3.0 87287
pair_style lj/cut/coul/cut/omp 2.5
pair_coeff 1 1 1.0 1.0 2.5
neighbor 0.3 bin
neigh_modify every 20 delay 0 check no
fix 1 all nve
#dump id all atom 50 dump.melt
thermo 50
run 250