variable dt equal 1e-6 variable m_chamber equal 1.07e-5 variable m_chamber2 equal 1.07e-5 variable t_set equal 0.01 #time to initialise the simulation [sec] variable t_set2 equal 1.00 #time to initialise the simulation [sec] variable dump_rate equal 0.001/${dt} #rate of writing dump rate [] variable st_set equal ${t_set}/${dt} #steps to initialise the simulation [] variable st_set2 equal ${t_set2}/${dt} #steps to initialise the simulation [] echo both atom_style granular atom_modify map array communicate single vel yes boundary f f f newton off units si region reg block -0.09 0.09 & -0.09 0.09 & -0.09 0.09 & units box create_box 1 reg include matprops.lmp #neighbor ${dp} bin neigh_modify delay 0 # timestep, gravity timestep ${dt} fix gravi all gravity 0. vector 0. 0. 1. # particle distributions and insertion, large numbers are primes used for RNG startup fix pts1 all particletemplate/sphere 67867979 & atom_type 1 & density constant ${rhop} & radius constant ${rp} fix pts2 all particletemplate/sphere 67867979 & atom_type 1 & density constant ${rhop} & radius constant ${rp} fix pdd1 all particledistribution/discrete 15485863 1 pts1 1 fix pdd2 all particledistribution/discrete 15485863 1 pts2 1 variable xmin_ch equal -.001 variable ymin_ch equal -.001 variable xmax_ch equal .001 variable ymax_ch equal .001 variable zmin_cA equal .011 variable zmax_cA equal .013 variable zmin_cB equal -.013 variable zmax_cB equal -.011 region cA block ${xmin_ch} ${xmax_ch} & ${ymin_ch} ${ymax_ch} & ${zmin_cA} ${zmax_cA} region cB block ${xmin_ch} ${xmax_ch} & ${ymin_ch} ${ymax_ch} & ${zmin_cB} ${zmax_cB} fix ins_cA all insert/pack seed 6028157 & distributiontemplate pdd1 & vel constant 0. 0. 0. & insert_every once & overlapcheck yes & all_in yes & mass_in_region ${m_chamber} & region cA fix ins_cB all insert/pack seed 6028157 & distributiontemplate pdd2 & vel constant 0. 0. 0. & insert_every once & overlapcheck yes & all_in yes & mass_in_region ${m_chamber2} & region cB # apply nve integration to all particles that are inserted as single particles fix integr all nve/sphere group particlesInRegionCB region cB # screen output thermo_style custom step atoms ke thermo 5000 thermo_modify lost ignore norm no # insert the first particles so that dump is not empty shell mkdir ./post shell mkdir ./restart dump dmp all custom/vtk ${dump_rate} ./post/particles_*.vtk id type x y z vx vy vz fx fy fz radius mass dump_modify dmp sort id #-------Run---------------------------------------------------------------------------------------------------------------------------------------------------------# run ${st_set} unfix ins_cA unfix ins_cB velocity particlesInRegionCB set NULL NULL -1.0 #-------Write restart file------------------------------------------------------------------------------------------------------------------------------------------# run ${st_set2} write_restart ./restart/restart.liggghts