diff --git a/examples/balance/in.balance.bond.fast b/examples/balance/in.balance.bond.fast index d2cecd2bf..3bfcea033 100644 --- a/examples/balance/in.balance.bond.fast +++ b/examples/balance/in.balance.bond.fast @@ -1,63 +1,63 @@ # 2d circle of particles inside a box with LJ walls variable b index 0 variable x index 50 variable y index 20 variable d index 20 variable v index 5 variable w index 2 units lj dimension 2 atom_style bond boundary f f p lattice hex 0.85 region box block 0 $x 0 $y -0.5 0.5 create_box 1 box bond/types 1 extra/bond/per/atom 6 region circle sphere $(v_d/2+1) $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2) create_atoms 1 region circle mass 1 1.0 velocity all create 0.5 87287 loop geom velocity all set $v $w 0 sum yes pair_style lj/cut 2.5 pair_coeff 1 1 10.0 1.0 2.5 bond_style harmonic bond_coeff 1 10.0 1.2 # need to preserve 1-3, 1-4 pairwise interactions during hard collisions special_bonds lj/coul 0 1 1 -create_bonds all all 1 1.0 1.5 +create_bonds many all all 1 1.0 1.5 neighbor 0.3 bin neigh_modify delay 0 every 1 check yes fix 1 all nve fix 2 all wall/lj93 xlo 0.0 1 1 2.5 xhi $x 1 1 2.5 fix 3 all wall/lj93 ylo 0.0 1 1 2.5 yhi $y 1 1 2.5 comm_style tiled comm_modify cutoff 10.0 # because bonds stretch a long ways fix 10 all balance 50 0.9 rcb #compute 1 all property/atom proc #variable p atom (c_1%10)+1 #dump 2 all custom 50 tmp.dump id v_p x y z #dump 3 all image 50 image.*.jpg v_p type bond atom 0.25 & # adiam 1.0 view 0 0 zoom 1.8 subbox yes 0.02 #variable colors string & # "red green blue yellow white & # purple pink orange lime gray" #dump_modify 3 pad 5 amap 0 10 sa 1 10 ${colors} thermo_style custom step temp epair press f_10[3] f_10 thermo 100 run 10000 diff --git a/examples/balance/in.balance.bond.slow b/examples/balance/in.balance.bond.slow index fdf0ea6c4..68b1110c3 100644 --- a/examples/balance/in.balance.bond.slow +++ b/examples/balance/in.balance.bond.slow @@ -1,62 +1,62 @@ # 2d circle of particles inside a box with LJ walls variable b index 0 variable x index 50 variable y index 20 variable d index 20 # careful not to slam into wall too hard variable v index 0.3 variable w index 0.08 units lj dimension 2 atom_style bond boundary f f p lattice hex 0.85 region box block 0 $x 0 $y -0.5 0.5 create_box 1 box bond/types 1 extra/bond/per/atom 6 region circle sphere $(v_d/2+1) $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2) create_atoms 1 region circle mass 1 1.0 velocity all create 0.5 87287 loop geom velocity all set $v $w 0 sum yes pair_style lj/cut 2.5 pair_coeff 1 1 10.0 1.0 2.5 bond_style harmonic bond_coeff 1 10.0 1.2 -create_bonds all all 1 1.0 1.5 +create_bonds many all all 1 1.0 1.5 neighbor 0.3 bin neigh_modify delay 0 every 1 check yes fix 1 all nve fix 2 all wall/lj93 xlo 0.0 1 1 2.5 xhi $x 1 1 2.5 fix 3 all wall/lj93 ylo 0.0 1 1 2.5 yhi $y 1 1 2.5 comm_style tiled fix 10 all balance 50 0.9 rcb #compute 1 all property/atom proc #variable p atom (c_1%10)+1 #dump 2 all custom 50 tmp.dump id v_p x y z #dump 3 all image 200 image.*.jpg v_p type bond atom 0.25 & # adiam 1.0 view 0 0 zoom 1.8 subbox yes 0.02 #variable colors string & # "red green blue yellow white & # purple pink orange lime gray" #dump_modify 3 pad 5 amap 0 10 sa 1 10 ${colors} thermo_style custom step temp epair press f_10[3] f_10 thermo 100 run 40000