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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6699 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2011-08-17 14:24:19 +00:00
parent 2445c9a25e
commit b58baf2f28
4 changed files with 5 additions and 5 deletions
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2
examples/gpu/in.melt_2.5.gpu
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@ -1,6 +1,7 @@
# 3d Lennard-Jones melt # 3d Lennard-Jones melt
newton off newton off
package gpu force/neigh 0 1 1
variable x index 2 variable x index 2
variable y index 2 variable y index 2
@ -27,7 +28,6 @@ pair_coeff 1 1 1.0 1.0 2.5
neighbor 0.3 bin neighbor 0.3 bin
neigh_modify delay 0 every 20 check no neigh_modify delay 0 every 20 check no
fix 0 all gpu force/neigh 0 1 1
fix 1 all nve fix 1 all nve
thermo 100 thermo 100

2
examples/gpu/in.melt_5.0.gpu
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@ -1,6 +1,7 @@
# 3d Lennard-Jones melt # 3d Lennard-Jones melt
newton off newton off
package gpu force/neigh 0 1 1 threadsi_per_atom 8
variable x index 2 variable x index 2
variable y index 2 variable y index 2
@ -27,7 +28,6 @@ pair_coeff 1 1 1.0 1.0 5.0
neighbor 0.3 bin neighbor 0.3 bin
neigh_modify delay 0 every 20 check no neigh_modify delay 0 every 20 check no
fix 0 all gpu force/neigh 0 1 1 threadsi_per_atom 8
fix 1 all nve fix 1 all nve
thermo 100 thermo 100

4
examples/gpu/in.phosphate.gpu
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@ -2,6 +2,8 @@
units metal units metal
newton off newton off
package gpu force/neigh 0 1 1
atom_style charge atom_style charge
read_data data.phosphate read_data data.phosphate
@ -25,8 +27,6 @@ thermo 100
timestep 0.001 timestep 0.001
fix 0 all gpu force/neigh 0 1 1
fix 1 all npt temp 400 400 0.01 iso 1000.0 1000.0 1.0 fix 1 all npt temp 400 400 0.01 iso 1000.0 1000.0 1.0
run 1000 run 1000
unfix 1 unfix 1

2
examples/gpu/in.rhodo.gpu
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@ -1,6 +1,7 @@
# Rhodopsin model # Rhodopsin model
newton off newton off
package gpu force/neigh 0 1 1
variable x index 2 variable x index 2
variable y index 2 variable y index 2
@ -23,7 +24,6 @@ read_data data.rhodo
replicate $x $y $z replicate $x $y $z
fix 0 all gpu force/neigh 0 1 1
fix 1 all shake 0.0001 5 0 m 1.0 a 232 fix 1 all shake 0.0001 5 0 m 1.0 a 232
fix 2 all npt temp 300.0 300.0 100.0 & fix 2 all npt temp 300.0 300.0 100.0 &
z 0.0 0.0 1000.0 mtk no pchain 0 tchain 1 z 0.0 0.0 1000.0 mtk no pchain 0 tchain 1