Submitted by krobot on Thu, 09/14/2023 - 09:45

variable dia_NMC_1 equal 20
variable dia_NMC_2 equal .1
variable rad_NMC_1 equal ${dia_NMC_1}/2

# Create a big particle
create_atoms 1 single 10.05 10.05 10.05 # The coordination of the first particle

set atom 1 diameter ${dia_NMC_1}

# group for big particle
group big_particle type 1

# Create small particles on the surface of the big particle
variable num_small_particles equal 400000 # Adjust the number of small particles as needed

# Set the diameter of the small particles
group small_particles type 2
set group small_particles diameter 0.1

# Define the region for the outer surface
region outer_surface sphere 10.05 10.05 10.05 ${dia_NMC_1} side out
create_atoms 1 random ${num_small_particles} ${seed9} ${dia_NMC_2} type 2 region outer_surface

fix integr big_particle nve/sphere

# Delete the overlapping particles
delete_atoms overlap 0.1 small_particles big_particle

# Fix for the small particles (nve for uniform distribution)
fix integr_small small_particles nve

create_atoms 1 random 400000 12799 0.1 type 2 region outer_surface
ERROR: Create_atoms region ID does not exist (../create_atoms.cpp:134)

Hello guys, as you can see this is my code. I am having this problem with region. I don't know how to solve it. If someone can guide me, it will be great help. I created a big particle in the center of a box. I want to set some small particle on the outer surface of the big particle.