forked from lijiext/lammps
27 lines
475 B
Plaintext
27 lines
475 B
Plaintext
variable sname index ch4_ionized
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log ${sname}.min.log
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units electron
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newton on
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boundary f f f
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atom_style hybrid charge electron
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read_data data.${sname}
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pair_style eff/cut 100.0
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pair_coeff * *
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communicate single vel yes
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thermo 1
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thermo_style multi
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dump 1 all custom 1 ${sname}.min.lammpstrj id type x y z spin radius
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dump 2 all xyz 1 ${sname}.min.xyz
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min_style cg
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min_modify line quadratic
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minimize 0 1.0e-6 10000 100000
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