git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11983 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2014-05-13 16:17:32 +00:00
parent 2fcb1094f5
commit f9864c81e0
11 changed files with 11 additions and 11 deletions

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@ -22,7 +22,7 @@ timestep 0.001
fix 1 all nve/awpmd
communicate single vel yes
comm_modify vel yes
compute energies all pair awpmd/cut
variable eke equal c_energies[1]

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@ -22,7 +22,7 @@ timestep 0.001
fix 1 all nve/awpmd
communicate single vel yes
comm_modify vel yes
compute energies all pair awpmd/cut
variable eke equal c_energies[1]

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@ -37,7 +37,7 @@ atom_modify first charged
kspace_style pppm/cg 0.00001
kspace_modify order 3
communicate multi
comm_modify mode multi
neighbor 2.0 multi
neigh_modify delay 4 every 2 check yes

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@ -7,7 +7,7 @@ atom_style bond
atom_modify sort 0 1.
bond_style harmonic
pair_style none
communicate single cutoff 2.0
comm_modify cutoff 2.0
# geometry
read_data data.pos

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@ -7,7 +7,7 @@ atom_style bond
atom_modify sort 0 1.
bond_style harmonic
pair_style none
communicate single cutoff 2.0
comm_modify cutoff 2.0
# geometry
read_data data.pos

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@ -20,7 +20,7 @@ velocity all create 1.44 87287 loop geom
neighbor 1 multi
neigh_modify delay 0
communicate multi
comm_modify mode multi
# colloid potential

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@ -3,7 +3,7 @@
atom_style sphere
boundary p p fm
newton off
communicate single vel yes
comm_modify vel yes
region reg block -10 10 -10 10 -0.5 16 units box
create_box 1 reg

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@ -4,7 +4,7 @@ dimension 2
atom_style sphere
boundary f fm p
newton off
communicate single vel yes
comm_modify vel yes
region reg block 0 100 0 50 -0.5 0.5 units box
create_box 1 reg

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@ -5,7 +5,7 @@ atom_style sphere
atom_modify map array
boundary f fm p
newton off
communicate single vel yes cutoff 2.5
comm_modify vel yes cutoff 2.5
fix prop all property/atom mol

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@ -65,7 +65,7 @@ reset_timestep 0
neighbor 0.3 bin
neigh_modify delay 0 every 1 check yes
communicate multi group big vel yes
comm_modify mode multi group big vel yes
neigh_modify include big
# no pairwise interactions with small particles

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@ -28,7 +28,7 @@ velocity all create 1.0 593849 loop geom
neighbor 0.3 bin
neigh_modify delay 1 every 1 check no
communicate single group empty
comm_modify group empty
# timestep is big and SRD frequency is 1