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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@ -22,7 +22,8 @@ thermo 10
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thermo_style custom step etotal pe ke temp press
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thermo_modify temp effTemp
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dump 1 all custom 1 ${sname}.spe.lammpstrj id type x y z spin eradius
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compute 1 all property/atom spin eradius
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dump 1 all custom 1 ${sname}.spe.lammpstrj id type x y z c_1[1] c_1[2]
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fix 1 all nve/eff
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