# LAMMPS input file for diblock copolymer melt
clear
units              si
dimension          3
boundary           p p p
atom_style         molecular

comm_modify        vel yes cutoff 5.0
neighbor           2.5 bin
                  
variable           rc equal 1.0
variable           Ns equal 10000
variable           dt equal 0.05
variable           kB equal 1.381e-23
variable           T equal 1.0/${kB}
variable           seed equal 1234
variable           fname index diblock.data

variable           gamma equal 4.5
variable           aii equal 25
variable           da equal 10
variable           aij equal v_aii+v_da

read_data          ${fname}

pair_style         dpd ${T} ${rc} ${seed}
pair_coeff         1 1 ${aii} ${gamma} ${rc}
pair_coeff         2 2 ${aii} ${gamma} ${rc}
pair_coeff         1 2 ${aij} ${gamma} ${rc}

bond_style         harmonic
bond_coeff         * 2 0.1

shell              mkdir Dump
dump               1 all xyz 1000 Dump/dump_*.xyz

timestep           ${dt}
velocity           all create ${T} ${seed} mom yes rot yes dist gaussian

variable           TEMP equal ${kB}*temp
thermo             100
thermo_style       custom step temp v_TEMP press

fix                1 all nve
run                ${Ns}
print              "All done."