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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9204 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2013-01-03 16:22:36 +00:00
parent 91a1b21ad6
commit 772e83406d
18 changed files with 21 additions and 21 deletions
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2
examples/USER/eff/Auger-Adamantane/in.adamantane_ionized.nve
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@ -9,7 +9,7 @@ atom_style electron
read_data data.${sname}
pair_style eff/cut 100.0 0 0
pair_style eff/cut 100.0
pair_coeff * *
communicate single vel yes

2
examples/USER/eff/Be-solid/in.Be-solid.spe
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@ -9,7 +9,7 @@ atom_style electron
read_data data.${sname}
pair_style eff/cut 31.6125 0 0
pair_style eff/cut 31.6125
pair_coeff * *
communicate single vel yes

2
examples/USER/eff/ECP/SiC/bulk/in.SiC
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@ -9,7 +9,7 @@ atom_style electron
read_data data.${sname}
pair_style eff/cut 20.0 limit_eradius pressure_with_evirials ecp 1 Si 2 C
pair_style eff/cut 20.0 limit/eradius pressure/evirials ecp 1 Si 2 C
pair_coeff * *
pair_coeff 1 s 0.320852 2.283269 0.814857
pair_coeff 2 p 22.721015 0.728733 1.103199 17.695345 6.693621

2
examples/USER/eff/H/in.h_atom.spe.ang
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@ -9,7 +9,7 @@ atom_style electron
read_data data.${sname}
pair_style eff/cut 0.529177249 0 0
pair_style eff/cut 0.529177249
pair_coeff * *
communicate single vel yes

2
examples/USER/eff/H/in.h_atom.spe.bohr
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@ -9,7 +9,7 @@ atom_style electron
read_data data.${sname}
pair_style eff/cut 1.0 0 0
pair_style eff/cut 1.0
pair_coeff * *
communicate single vel yes

2
examples/USER/eff/H2/in.h2
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@ -9,7 +9,7 @@ atom_style electron
read_data data.${sname}
pair_style eff/cut 6.447968 0 1
pair_style eff/cut 6.447968 pressure/evirials
pair_coeff * *
communicate single vel yes

2
examples/USER/eff/H_plasma/in.h2bulk.npt
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@ -9,7 +9,7 @@ atom_style electron
read_data data.${sname}
pair_style eff/cut 30.627847 0 0
pair_style eff/cut 30.627847
pair_coeff * *
neigh_modify one 20000 page 200000

2
examples/USER/eff/H_plasma/in.h2bulk.nve
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@ -9,7 +9,7 @@ atom_style electron
read_data data.${sname}
pair_style eff/cut 30.627847 0 0
pair_style eff/cut 30.627847
pair_coeff * *
neigh_modify one 10000 page 100000

2
examples/USER/eff/H_plasma/in.h2bulk.nve.ang
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@ -9,7 +9,7 @@ atom_style electron
read_data data.${sname}
pair_style eff/cut 16.207559818252903 1 1
pair_style eff/cut 16.207559818252903 limit/eradius pressure/evirials
pair_coeff * *
neigh_modify one 10000 page 100000

2
examples/USER/eff/Li-dendritic/in.Li-dendritic.min
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@ -10,7 +10,7 @@ atom_style electron
#read_data data.${sname}
read_restart ${sname}.min.restart2
pair_style eff/cut 50.112 0 0
pair_style eff/cut 50.112
pair_coeff * *
communicate single vel yes

2
examples/USER/eff/Li-dendritic/in.Li-dendritic.nvt
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@ -10,7 +10,7 @@ atom_style electron
read_data data.${sname}
#read_restart ${sname}.min.restart
pair_style eff/cut 50.112 0 0
pair_style eff/cut 50.112
pair_coeff * *
communicate single vel yes

6
examples/USER/eff/Li-solid/in.Li.ang
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@ -8,10 +8,10 @@ dielectric 1.0
atom_style electron
#read_data data.${sname}
read_restart ${sname}.min.restart
read_data data.${sname}
#read_restart ${sname}.min.restart
pair_style eff/cut 11.049221 1 1
pair_style eff/cut 11.049221 limit/eradius pressure/evirials
pair_coeff * *
communicate single vel yes

2
examples/USER/eff/Li-solid/in.Li.bohr
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@ -10,7 +10,7 @@ atom_style electron
read_data data.${sname}
pair_style eff/cut 20.88 1 1
pair_style eff/cut 20.88 limit/eradius pressure/evirials
pair_coeff * *
communicate single vel yes

2
examples/USER/eff/fixed-core/CH4/in.CH4fc.ang
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@ -12,7 +12,7 @@ atom_style electron
read_data data.${sname}
pair_style eff/cut 529.177249 0 0
pair_style eff/cut 529.177249
pair_coeff * *
compute energies all pair eff/cut

2
examples/USER/eff/fixed-core/CH4/in.CH4fc.bohr
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@ -12,7 +12,7 @@ atom_style electron
read_data data.${sname}
pair_style eff/cut 1000.0 0 0
pair_style eff/cut 1000.0
pair_coeff * *
compute energies all pair eff/cut

2
examples/USER/eff/fixed-core/CH4/in.CH4fc.spe.ang
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@ -12,7 +12,7 @@ atom_style electron
read_data data.${sname}
pair_style eff/cut 1000.0 1 1
pair_style eff/cut 1000.0 limit/eradius pressure/evirials
pair_coeff * *
compute energies all pair eff/cut

2
examples/USER/eff/fixed-core/CH4/in.CH4fc.spe.bohr
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@ -12,7 +12,7 @@ atom_style electron
read_data data.${sname}
pair_style eff/cut 1000.0 1 1
pair_style eff/cut 1000.0 limit/eradius pressure/evirials
pair_coeff * *
compute energies all pair eff/cut