Updating USER-EFF examples to use compute property/atom
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12109 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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@ -51,7 +51,8 @@ unfix 0
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unfix 1
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fix 1 all nvt/eff temp 3000.0 3000.0 100.0
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dump 1 all custom 1000 ${sname}.nvt.lammpstrj id type q spin eradius x y z vx vy vz ervel
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compute 1 all property/atom spin eradius ervel
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dump 1 all custom 1000 ${sname}.nvt.lammpstrj id type q c_1[1] c_1[2] x y z vx vy vz c_1[3]
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run 100000
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