33 lines
729 B
Plaintext
33 lines
729 B
Plaintext
# INPUT FILE FOR DPD_Fluid
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boundary p p p
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units metal # ev, ps
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atom_style dpd
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read_data data.dpd
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comm_modify mode single vel yes
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mass 1 125.9
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pair_style dpd/fdt/energy 8.6 245455
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pair_coeff 1 1 0.075 0.022 3.2E-05 8.60
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neighbor 2.0 bin
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neigh_modify every 1 delay 0 check no once no
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timestep 0.001
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fix 1 all dpd/energy
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fix 2 all nve
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fix 3 all eos/cv 0.00517041
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compute dpdU all dpd
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variable totEnergy equal pe+ke+c_dpdU[1]+c_dpdU[2]
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thermo 10
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thermo_style custom step temp press pe ke c_dpdU[1] c_dpdU[2] v_totEnergy c_dpdU[4]
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thermo_modify format float %24.16f
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run 1000
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