Loading examples/ellipse/in.ellipse.gayberne +6 −0 Original line number Diff line number Diff line Loading @@ -18,6 +18,10 @@ shape 1 1 1 1 shape 2 3 1 1 compute rot all temp/asphere group spheroid type 1 variable dof equal count(spheroid)+2 compute_modify rot extra ${dof} velocity all create 2.4 87287 loop geom pair_style gayberne 1.0 3.0 1.0 4.0 Loading Loading @@ -46,6 +50,8 @@ dump 1 all custom 100 dump.ellipse.gayberne & fix 1 all npt/asphere 2.0 2.0 0.1 xyz 0.0 1.0 1.0 fix 2 all enforce2d compute_modify 1_temp extra ${dof} # equilibrate to shrink box around dilute system run 2000 Loading examples/ellipse/in.ellipse.resquared +6 −0 Original line number Diff line number Diff line Loading @@ -18,6 +18,10 @@ shape 1 1 1 1 shape 2 3 1 1 compute rot all temp/asphere group spheroid type 1 variable dof equal count(spheroid)+2 compute_modify rot extra ${dof} velocity all create 2.4 87287 loop geom #pair_style gayberne 1.0 3.0 1.0 4.0 Loading Loading @@ -46,6 +50,8 @@ dump 1 all custom 100 dump.ellipse.resquared & fix 1 all npt/asphere 2.0 2.0 0.1 xyz 0.0 1.0 1.0 fix 2 all enforce2d compute_modify 1_temp extra ${dof} # equilibrate to shrink box around dilute system run 2000 Loading Loading
examples/ellipse/in.ellipse.gayberne +6 −0 Original line number Diff line number Diff line Loading @@ -18,6 +18,10 @@ shape 1 1 1 1 shape 2 3 1 1 compute rot all temp/asphere group spheroid type 1 variable dof equal count(spheroid)+2 compute_modify rot extra ${dof} velocity all create 2.4 87287 loop geom pair_style gayberne 1.0 3.0 1.0 4.0 Loading Loading @@ -46,6 +50,8 @@ dump 1 all custom 100 dump.ellipse.gayberne & fix 1 all npt/asphere 2.0 2.0 0.1 xyz 0.0 1.0 1.0 fix 2 all enforce2d compute_modify 1_temp extra ${dof} # equilibrate to shrink box around dilute system run 2000 Loading
examples/ellipse/in.ellipse.resquared +6 −0 Original line number Diff line number Diff line Loading @@ -18,6 +18,10 @@ shape 1 1 1 1 shape 2 3 1 1 compute rot all temp/asphere group spheroid type 1 variable dof equal count(spheroid)+2 compute_modify rot extra ${dof} velocity all create 2.4 87287 loop geom #pair_style gayberne 1.0 3.0 1.0 4.0 Loading Loading @@ -46,6 +50,8 @@ dump 1 all custom 100 dump.ellipse.resquared & fix 1 all npt/asphere 2.0 2.0 0.1 xyz 0.0 1.0 1.0 fix 2 all enforce2d compute_modify 1_temp extra ${dof} # equilibrate to shrink box around dilute system run 2000 Loading
