diff --git a/examples/rigid/in.rigid.gravity b/examples/rigid/in.rigid.gravity new file mode 100644 index 0000000000..22abb0740e --- /dev/null +++ b/examples/rigid/in.rigid.gravity @@ -0,0 +1,62 @@ +#Pour composite granular particles on flat wall + +newton on +atom_style sphere +atom_modify map array sort 0 0 + +thermo_modify flush yes +units si + +variable minrad equal 0.5 +variable maxrad equal 1.4 + +variable skin equal 0.3*${maxrad} + +boundary p p f +region reg block 0 20 0 20 0 200 units box +create_box 1 reg + +fix prop all property/atom mol ghost yes + +variable dumpfreq equal 1000 +variable logfreq equal 1000 + +pair_style gran/hooke/history 4e5 NULL 1e2 NULL 0.5 0 +pair_coeff * * + +timestep 0.0001 + +group particles type 1 +atom_modify first particles + +neighbor ${skin} bin +group rigid type 1 +neigh_modify every 1 delay 0 check yes exclude molecule/intra all + +thermo ${logfreq} +thermo_style custom step cpu atoms ke +thermo_modify flush yes lost warn + +comm_modify vel yes cutoff 3 + +molecule mymol molecule.data +region pourreg block 5 15 5 15 80 100 side in units box + +#Note: in versions prior to 1/2020, the 'disable' keyword to fix/gravity +# and the 'gravity' keyword to fix rigid/small were not available. +# These settings produce undesirable behavior, where gravity can induce +# torque on rigid bodies. +#fix gravfix all gravity 9.8 vector 0 0 -1 #disable +#fix rigidfix all rigid/small molecule mol mymol #gravity gravfix + +#The correct behavior is recovered with the following settings: +fix gravfix all gravity 9.8 vector 0 0 -1 disable +fix rigidfix all rigid/small molecule mol mymol gravity gravfix +fix pourfix all pour 5 0 1234 region pourreg mol mymol rigid rigidfix + +fix zwall all wall/gran hooke/history 4000.0 NULL 100.0 NULL 0.5 0 zplane 0.1 NULL + +dump 1 all custom 1000 molecule_pour.dump id type mass radius x y z fx fy fz + +run 100000 + diff --git a/examples/rigid/molecule.data b/examples/rigid/molecule.data new file mode 100644 index 0000000000..e0677b0f63 --- /dev/null +++ b/examples/rigid/molecule.data @@ -0,0 +1,41 @@ +LAMMPS data file created for rigid body molecule template + +5 atoms + +2.3388800000000005 mass + +6.002239704473936 4.99 4.989999999999999 com + +116.79265620480001 144.26721336320003 144.26721336320006 -70.05220681600004 -70.05220681600002 -58.238345888000005 inertia + +Coords + +1 5 5 5 +2 5.1 5.0 5.0 +3 5.2 5.0 5.0 +4 6.2 5.0 5.0 +5 7.2 5.0 5.0 + +Types + +1 1 +2 1 +3 1 +4 1 +5 1 + +Diameters + +1 1.0 +2 0.9 +3 1.2 +4 1.2 +5 1.0 + +Masses + +1 0.5235987755982988 +2 0.3817035074111599 +3 0.9047786842338602 +4 0.9047786842338602 +5 0.5235987755982988