From c16b5e6b9d2f1d8d2b453d941fdf04101cd57d28 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Fri, 16 May 2008 20:39:25 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1836 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- examples/ellipse/in.gayberne | 58 ----------------------------------- examples/ellipse/in.resquared | 58 ----------------------------------- 2 files changed, 116 deletions(-) delete mode 100644 examples/ellipse/in.gayberne delete mode 100644 examples/ellipse/in.resquared diff --git a/examples/ellipse/in.gayberne b/examples/ellipse/in.gayberne deleted file mode 100644 index ac4d8bf249..0000000000 --- a/examples/ellipse/in.gayberne +++ /dev/null @@ -1,58 +0,0 @@ -# GayBerne ellipsoids in LJ background fluid - -units lj -atom_style ellipsoid -dimension 2 - -lattice sq 0.02 -region box block 0 20 0 20 -0.5 0.5 -create_box 2 box -create_atoms 1 box - -set group all type/fraction 2 0.1 95392 -set group all quat/random 18238 - -mass 1 1.0 -mass 2 1.5 -shape 1 1 1 1 -shape 2 3 1 1 - -compute rot all temp/asphere -velocity all create 2.4 87287 loop geom - -pair_style gayberne 1.0 3.0 1.0 4.0 -pair_coeff 1 1 3.0 1.0 1 1 1 1 1 1 2.5 -pair_coeff 1 2 3.0 1.0 1 1 1 0 0 0 -pair_coeff 2 2 1.0 1.0 1 1 0.2 0 0 0 - -#pair_style resquared 4.0 -#pair_coeff 1 1 3.0 1 1 1 1 1 1 1 2.5 -#pair_coeff 1 2 3.0 1 1 1 1 0 0 0 -#pair_coeff 2 2 1.0 1 1 1 0.2 0 0 0 - -neighbor 0.8 bin - -thermo_style custom step c_rot epair etotal press vol -thermo 100 - -timestep 0.002 - -dump 1 all custom 100 dump.gayberne & - tag type x y z quatw quati quatj quatk - -#dump 1 all custom 100 dump.resquared & -# tag type x y z quatw quati quatj quatk - -fix 1 all npt/asphere 2.0 2.0 0.1 xyz 0.0 1.0 1.0 -fix 2 all enforce2d - -# equilibrate to shrink box around dilute system - -run 2000 - -# run dynamics on dense system - -unfix 1 -fix 1 all nve/asphere - -run 2000 diff --git a/examples/ellipse/in.resquared b/examples/ellipse/in.resquared deleted file mode 100644 index 1486a3fd0f..0000000000 --- a/examples/ellipse/in.resquared +++ /dev/null @@ -1,58 +0,0 @@ -# RESquared ellipsoids in LJ background fluid - -units lj -atom_style ellipsoid -dimension 2 - -lattice sq 0.02 -region box block 0 20 0 20 -0.5 0.5 -create_box 2 box -create_atoms 1 box - -set group all type/fraction 2 0.1 95392 -set group all quat/random 18238 - -mass 1 1.0 -mass 2 1.5 -shape 1 1 1 1 -shape 2 3 1 1 - -compute rot all temp/asphere -velocity all create 2.4 87287 loop geom - -#pair_style gayberne 1.0 3.0 1.0 4.0 -#pair_coeff 1 1 3.0 1.0 1 1 1 1 1 1 2.5 -#pair_coeff 1 2 3.0 1.0 1 1 1 0 0 0 -#pair_coeff 2 2 1.0 1.0 1 1 0.2 0 0 0 - -pair_style resquared 4.0 -pair_coeff 1 1 3.0 1 1 1 1 1 1 1 2.5 -pair_coeff 1 2 3.0 1 1 1 1 0 0 0 -pair_coeff 2 2 1.0 1 1 1 0.2 0 0 0 - -neighbor 0.8 bin - -thermo_style custom step c_rot epair etotal press vol -thermo 100 - -timestep 0.002 - -#dump 1 all custom 100 dump.gayberne & -# tag type x y z quatw quati quatj quatk - -dump 1 all custom 100 dump.resquared & - tag type x y z quatw quati quatj quatk - -fix 1 all npt/asphere 2.0 2.0 0.1 xyz 0.0 1.0 1.0 -fix 2 all enforce2d - -# equilibrate to shrink box around dilute system - -run 2000 - -# run dynamics on dense system - -unfix 1 -fix 1 all nve/asphere - -run 2000