27 lines
544 B
Plaintext
27 lines
544 B
Plaintext
variable sname index Li-dendritic
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log ${sname}.min.log
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units electron
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newton on
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boundary p p p
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atom_style hybrid charge electron
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read_data data.${sname}
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pair_style eff/cut 50.112
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pair_coeff * *
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communicate single vel yes
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thermo 10
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thermo_style custom step etotal press
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dump 1 all custom 10 ${sname}.min.lammpstrj id type x y z q spin radius
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dump 2 all xyz 10 ${sname}.min.xyz
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min_style cg
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min_modify line quadratic dmax 2.0
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minimize 0.0 1.0e-5 10000 100000
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