# Aspherical shear demo - 2d line box and triangle mixture, implicit solvent units lj atom_style line dimension 2 read_data data.line velocity all create 1.44 320984 loop geom neighbor 0.3 bin neigh_modify delay 0 every 1 check yes neigh_modify exclude molecule all pair_style line/lj 2.5 pair_coeff * * 1.0 1.0 1.0 0.25 2.5 fix 2 all rigid molecule langevin 2.0 2.0 1.0 492983 fix 3 all deform 1 x scale 0.3 y scale 0.3 fix 4 all enforce2d compute 10 all property/atom end1x end1y end2x end2y #dump 1 all custom 500 dump1.atom id type x y z ix iy iz #dump 2 all custom 500 dump1.line id type & # c_10[1] c_10[2] c_10[3] c_10[4] timestep 0.004 compute 1 all erotate/asphere compute 2 all ke compute 3 all pe variable toteng equal (c_1+c_2+c_3)/atoms thermo 1000 thermo_style custom step temp f_2 pe ke c_1 c_2 c_3 v_toteng run 10000 #undump 1 #undump 2 unfix 3 change_box all triclinic #dump 1 all custom 500 dump2.atom id type x y z ix iy iz #dump 2 all custom 500 dump2.line id type & # c_10[1] c_10[2] c_10[3] c_10[4] fix 3 all deform 1 xy erate 0.01 units box run 100000