If one defines the region to be a sphere using the region command and then used the create box command like this
region sph sphere 0.0 0.0 0.0 5 side in
create_box 1 sph
The manual says
If the region is not of style *prism*, then LAMMPS encloses the region
(block, sphere, etc) with an axis-aligned orthogonal bounding box
which becomes the simulation domain.
Does this mean that the sphere is enclosed within the simulation box. Is there no use in defining the region as sphere
since the create box command over rides the region (sphere) by an orthogonal bounding box. Please can somebody clarify ?
Thanks
Arun
If one defines the region to be a sphere using the region command and then used the create box command like this
region sph sphere 0.0 0.0 0.0 5 side in
create_box 1 sph
The manual says
If the region is not of style prism, then LAMMPS encloses the region
(block, sphere, etc) with an axis-aligned orthogonal bounding box
which becomes the simulation domain.
Does this mean that the sphere is enclosed within the simulation box. Is there no use in defining the region as sphere
since the create box command over rides the region (sphere) by an orthogonal bounding box. Please can somebody clarify ?
What would be the use of a spherical simulation cell?
To allow for periodicity, simulation boxes in lammps are parallelepipeds.
And unless you use a prism region, they are orthogonal, like the manual says.