git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6699 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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@ -2,6 +2,8 @@
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units metal
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newton off
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package gpu force/neigh 0 1 1
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atom_style charge
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read_data data.phosphate
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@ -25,8 +27,6 @@ thermo 100
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timestep 0.001
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fix 0 all gpu force/neigh 0 1 1
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fix 1 all npt temp 400 400 0.01 iso 1000.0 1000.0 1.0
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run 1000
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unfix 1
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