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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12089 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2014-06-05 12:52:13 +00:00
parent 3f16021ba1
commit 8dad71810c
15 changed files with 15 additions and 15 deletions
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2
examples/USER/eff/Auger-Adamantane/in.adamantane_ionized.nve
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@ -12,7 +12,7 @@ read_data data.${sname}
pair_style eff/cut 100.0
pair_coeff * *
communicate single vel yes
comm_modify vel yes
compute effTemp all temp/eff

2
examples/USER/eff/Be-solid/in.Be-solid.spe
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@ -12,7 +12,7 @@ read_data data.${sname}
pair_style eff/cut 31.6125
pair_coeff * *
communicate single vel yes
comm_modify vel yes
neigh_modify one 10000 page 100000

2
examples/USER/eff/CH4/in.ch4.dynamics
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@ -12,7 +12,7 @@ read_data data.${sname}
pair_style eff/cut 100.0
pair_coeff * *
communicate single vel yes
comm_modify vel yes
# Minimize
min_style cg

2
examples/USER/eff/CH4/in.ch4.min
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@ -12,7 +12,7 @@ read_data data.${sname}
pair_style eff/cut 100.0
pair_coeff * *
communicate single vel yes
comm_modify vel yes
compute effTemp all temp/eff

2
examples/USER/eff/CH4/in.ch4_ionized.dynamics
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@ -12,7 +12,7 @@ read_data data.${sname}
pair_style eff/cut 5000.0 0 0
pair_coeff * *
communicate single vel yes
comm_modify vel yes
# minimize
min_style cg

2
examples/USER/eff/H/in.h_atom.spe.ang
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@ -12,7 +12,7 @@ read_data data.${sname}
pair_style eff/cut 0.529177249
pair_coeff * *
communicate single vel yes
comm_modify vel yes
compute energies all pair eff/cut
variable eke equal c_energies[1]

2
examples/USER/eff/H/in.h_atom.spe.bohr
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@ -12,7 +12,7 @@ read_data data.${sname}
pair_style eff/cut 1.0
pair_coeff * *
communicate single vel yes
comm_modify vel yes
compute energies all pair eff/cut
variable eke equal c_energies[1]

2
examples/USER/eff/H2/in.h2
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@ -12,7 +12,7 @@ read_data data.${sname}
pair_style eff/cut 6.447968 pressure/evirials
pair_coeff * *
communicate single vel yes
comm_modify vel yes
min_style cg
min_modify line quadratic

2
examples/USER/eff/H_plasma/in.h2bulk.npt
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@ -14,7 +14,7 @@ pair_coeff * *
neigh_modify one 20000 page 200000
communicate single vel yes
comm_modify vel yes
compute effTemp all temp/eff

2
examples/USER/eff/H_plasma/in.h2bulk.nve
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@ -14,7 +14,7 @@ pair_coeff * *
neigh_modify one 10000 page 100000
communicate single vel yes
comm_modify vel yes
compute effTemp all temp/eff

2
examples/USER/eff/H_plasma/in.h2bulk.nve.ang
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@ -14,7 +14,7 @@ pair_coeff * *
neigh_modify one 10000 page 100000
communicate single vel yes
comm_modify vel yes
compute peratom all stress/atom NULL
compute p all reduce sum c_peratom[1] c_peratom[2] c_peratom[3]

2
examples/USER/eff/Li-dendritic/in.Li-dendritic.min
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@ -13,7 +13,7 @@ read_restart ${sname}.min.restart2
pair_style eff/cut 50.112
pair_coeff * *
communicate single vel yes
comm_modify vel yes
compute effTemp all temp/eff

2
examples/USER/eff/Li-dendritic/in.Li-dendritic.nvt
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@ -13,7 +13,7 @@ read_data data.${sname}
pair_style eff/cut 50.112
pair_coeff * *
communicate single vel yes
comm_modify vel yes
compute effTemp all temp/eff
compute effPress all pressure effTemp

2
examples/USER/eff/Li-solid/in.Li.ang
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@ -14,7 +14,7 @@ read_data data.${sname}
pair_style eff/cut 11.049221 limit/eradius pressure/evirials
pair_coeff * *
communicate single vel yes
comm_modify vel yes
neigh_modify one 2000 page 20000

2
examples/USER/eff/Li-solid/in.Li.bohr
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@ -13,7 +13,7 @@ read_data data.${sname}
pair_style eff/cut 20.88 limit/eradius pressure/evirials
pair_coeff * *
communicate single vel yes
comm_modify vel yes
neigh_modify one 2000 page 20000