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Fixing broken USER-EFF examples

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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12110 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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stamoor
2014-06-10 17:00:33 +00:00
parent 00db690e64
commit fcb81d2b48
12 changed files with 13 additions and 13 deletions
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2
examples/USER/eff/ECP/Si2H6/in.Si2H6
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@ -23,7 +23,7 @@ variable epauli equal c_energies[2]
variable estatics equal c_energies[3]
variable errestrain equal c_energies[4]
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/ECP/Si2H6/in.Si2H6.ang
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@ -23,7 +23,7 @@ variable epauli equal c_energies[2]
variable estatics equal c_energies[3]
variable errestrain equal c_energies[4]
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/ECP/SiC/bulk/in.SiC
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@ -14,7 +14,7 @@ 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
communicate single vel yes
comm_modify vel yes
neigh_modify one 4000 page 40000

2
examples/USER/eff/ECP/SiH4/in.SiH4
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@ -24,7 +24,7 @@ variable epauli equal c_energies[2]
variable estatics equal c_energies[3]
variable errestrain equal c_energies[4]
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/ECP/SiH4/in.SiH4.ang
View File

@ -23,7 +23,7 @@ variable epauli equal c_energies[2]
variable estatics equal c_energies[3]
variable errestrain equal c_energies[4]
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]