Added example script and input data file showing benefits of new fix gravity and fix rigid options

This commit is contained in:
Dan S. Bolintineanu 2020-01-06 21:18:00 -07:00
parent af4e49a517
commit 6aa4f4caf6
2 changed files with 103 additions and 0 deletions

View File

@ -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

View File

@ -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