# LAMMPS input file for diblock copolymer melt
# 17/08/17
clear
units              si
dimension          3
boundary           p p p
atom_style         molecular

comm_modify        vel yes cutoff 5.0
#neigh_modify       one 10000 # page 100000 every 1
neighbor           1.5 bin

variable           rc equal 1.0
variable           Ns equal 20000
variable           dt equal 0.03
variable           kB equal 1.381e-23
variable           T equal 1.0/${kB}
variable           gamma equal 4.5
variable           seed equal 1234
variable           fname index diblock.data

read_data          ${fname}
pair_style         dpd ${T} ${rc} ${seed}
pair_coeff         1 1 25.0 ${gamma} ${rc}
pair_coeff         2 2 25.0 ${gamma} ${rc}
pair_coeff         1 2 50.0 ${gamma} ${rc}
bond_style         harmonic
bond_coeff         * 4.0 0.1

velocity           all create ${T} ${seed} mom yes rot yes dist gaussian
reset_timestep     0
timestep           ${dt}
fix                1 all nve

variable           TEMP equal ${kB}*temp
thermo_style       custom step temp v_TEMP press
thermo             1000
run                ${Ns}

shell              mkdir Dump
shell              cd Dump
dump               1 all xyz 10 dump_*.xyz

thermo             10
run                10
print              "All done."