rename some examples folders

2021-06-29 20:21:53 -04:00
parent 878795e64a
commit 9d208c9ebd
396 changed files with 32 additions and 20 deletions
--- a/examples/USER-MISC/addtorque/in.addtorque
+++ b/examples/USER-MISC/addtorque/in.addtorque
@ -0,0 +1,64 @@
+
+units           lj
+lattice         fcc 0.8442
+boundary        f f f
+
+region          ball   sphere   0.0 0.0 0.0 5.0
+region          box    block  -10 10 -10 10 -10 10
+region          half   block  -10  0 -10 10 -10 10
+
+# add molecule ids so we can use chunk/atom
+fix             0   all property/atom mol ghost yes
+
+create_box      2  box
+create_atoms    1  region ball
+
+pair_style      lj/cut 4.0
+pair_coeff      * *  1.0 1.0
+mass            *    1.0
+set             group all mol 1
+
+# label half the sphere with a different type for better visualization
+set             region half   type 2
+
+# use a dynamic group (may require a patch to fix addtorque with older versions of LAMMPS)
+group           ball   dynamic all   region ball
+
+neigh_modify    delay 2  every 1  check yes
+
+minimize        0.0  0.0    1000  10000
+reset_timestep  0
+
+velocity        all create 1.2 12351235
+
+fix             1   all  nve
+fix             2   all  wall/reflect  xlo EDGE xhi EDGE ylo EDGE yhi EDGE zlo EDGE zhi EDGE
+
+compute 1 all chunk/atom molecule
+compute 2 ball omega/chunk 1
+compute 3 ball inertia/chunk 1
+
+# compute rotational kinetic energy: 1/2 * I * omega**2
+variable r_ke_x equal c_2[1][1]*c_2[1][1]*c_3[1][1]*0.5
+variable r_ke_y equal c_2[1][2]*c_2[1][2]*c_3[1][2]*0.5
+variable r_ke_z equal c_2[1][3]*c_2[1][3]*c_3[1][3]*0.5
+
+# output moments of inertia for x,y,z and angular velocity as well as rotational kinertic energy
+
+thermo_style custom step ke pe c_3[1][1] c_3[1][2] c_3[1][3] c_2[1][1] c_2[1][2] c_2[1][3] v_r_ke_x v_r_ke_y v_r_ke_z
+thermo 500
+
+# dump 1 all atom 100 dump.lammpstrj
+
+# dump 2 all movie 10 ball.mp4 type mass
+
+# equilibration w/o torque added
+run 1000 post no
+
+# start spinning the ball. rotation around z should increase and Erot_z should grow
+fix 4 ball addtorque 0.0 0.0 200.0
+run 10000 upto  post no
+
+# continue without adding more torque. rotation continues at fixed speed
+unfix 4
+run 5000