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run.in
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run.in
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echo screen
dimension 3
units lj
boundary p p p
newton off
variable nspecies equal 1
atom_style dpd/rbc/meso
neighbor 0.3 bin
neigh_modify delay 0 every 10 check no
timestep 0.001
read_data test_moreparticle.data
#comment:
pair_style dpd/meso 1.58 231321
# I J a0 gamma sigma expw cut dummy:lj_flag cut_lj epsilon_lj sigma_lj
pair_coeff 1 1 4.0 30.0 2.38 1 1.58 0 0 0 0
pair_coeff 2 2 2.0 45.0 2.91 1 1.58 0 0 0 0
pair_coeff 1 2 2.0 30.0 2.38 1 1.58 1 1.2 1.0 1.0
bond_style wlc_pow_all_visc/meso
#comment btype kBT r0 mu_targ m gamc gamt
bond_coeff 1 0.09452 2.2 100 2.0 30.0 90.0
angle_style areavolume/meso
#comment atype ka A_0^tot k_v V_0^tot k_d
angle_coeff 1 4900.0 4394.66 5000.0 19860.64 100.0
dihedral_style bend/meso
#comment dtype kb theta0
dihedral_coeff 1 6.025 0.0
fix 1 all nve/meso
group particles type 2
region highPress block -42.000000 42.000000 -42.000000 42.000000 40.000000 45.000000
fix 2 particles addforce/meso NULL NULL -10 region highPress -42.000000 42.000000 -42.000000 42.000000 40.000000 45.000000
fix 3 particles move linear 0 0 NULL
thermo_style custom step temp press
thermo 1
dump dump1 all atom 100 run.lammpstrj
run_style mvv/meso
run 500000