in.dpde-shardlow
4c611fb1d0cblammm-master-deprecated

in.dpde-shardlow
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			# Input File for DPD fluid under isoenergetic conditions using the VV-SSA integration scheme
			log log.dpde
			boundary p p p

			units metal # ev, ps
			atom_style dpd
			read_data data.dpde

			comm_modify mode single vel yes
			mass 1 100.0

			pair_style dpd/fdt/energy 10.0 245455
			pair_coeff 1 1 0.075 0.022 3.2E-5 10.00

			neighbor 2.0 bin
			neigh_modify every 1 delay 0 check no once no

			timestep 0.001

			compute dpdU all dpd
			variable totEnergy equal pe+ke+c_dpdU[1]+c_dpdU[2]

			thermo 1
			thermo_style custom step temp pe ke v_totEnergy
			thermo_modify format float %15.10f

			fix 1 all shardlow
			fix 2 all nve
			fix 3 all eos/cv 0.0005

			run 100