Hello,
I am running a simulation on fluid Argon and it involves a rectangular box with liquid argon in the middle and gaseous argon on the sides. My goal is to plot the density with respect to each “bin” that I create. Is this even possible to do? Can Lammps split up a simulation box, full of atoms, into separate bins? Thank you for the assistance. My code is below.
Regards,
Tyler
3D Argon Test
clear
units real
boundary p p p
atom_style atomic
#Create Geometry
lattice fcc 6.4
#region outerbox block 0 8 0 8 0 16
region box block 0 16 0 8 0 8
create_box 1 box
create_atoms 1 box
mass 1 39.948
#Create LJ potentials
pair_style lj/cut 8.5
pair_coeff * * .2381 3.4 8.5
velocity all create 95.0 102486 mom yes rot yes dist gaussian
neighbor 2.5 bin
neigh_modify every 2 delay 10
minimize 1.0e-4 1.0e-6 1000 10000
run 2000
fix 1 all npt temp 95.0 85.0 1000.0 iso 10.0 10.0 10000.0
timestep 5
run_style verlet
thermo 100
dump 1 all custom 100 dim.lammpstrj x y z
thermo_style custom step pe press temp vol ke etotal
run 10000
change_box all x final -8 24 boundary p p p
unfix 1
fix 1 all nvt temp 85.0 85.0 1000.0
compute 1 all stress/atom NULL
thermo_style custom step press temp vol density ke pe
run 20000