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Updating USER-EFF examples to use compute property/atom

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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12109 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
stamoor
2014-06-10 16:07:24 +00:00
parent e9bcfbbaea
commit 00db690e64
21 changed files with 54 additions and 32 deletions
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3
examples/USER/eff/H_plasma/in.h2bulk.npt
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@ -38,7 +38,8 @@ thermo_style custom step pe temp press vol v_density
thermo_modify temp effTemp
dump 2 all xyz 10000 ${sname}.npt.xyz
dump 3 all custom 10000 ${sname}.npt.lammpstrj id type x y z spin eradius
compute 1 all property/atom spin eradius
dump 3 all custom 10000 ${sname}.npt.lammpstrj id type x y z c_1[1] c_1[2]
run 10000000

3
examples/USER/eff/H_plasma/in.h2bulk.nve
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@ -38,7 +38,8 @@ compute peatom all pe/atom
compute keatom all ke/atom/eff
dump 2 all xyz 1000 ${sname}.nve.xyz
dump 3 all custom 1000 ${sname}.nve.lammpstrj id type x y z spin eradius c_peatom c_keatom
compute 1 all property/atom spin eradius
dump 3 all custom 1000 ${sname}.nve.lammpstrj id type x y z c_1[1] c_1[2] c_peatom c_keatom
run 100000

3
examples/USER/eff/H_plasma/in.h2bulk.nve.ang
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@ -49,7 +49,8 @@ compute peatom all pe/atom
compute keatom all ke/atom/eff
dump 2 all xyz 1000 ${sname}.nve.xyz
dump 3 all custom 1000 ${sname}.nve.lammpstrj id type x y z spin eradius c_peatom c_keatom
compute 1 all property/atom spin eradius
dump 3 all custom 1000 ${sname}.nve.lammpstrj id type x y z c_1[1] c_1[2] c_peatom c_keatom
run 100000