Module boundary 

Traits that describe boundary conditions and a selection of types that implement them.

See the crate-level documentation for an overview of how boundary conditions interact with Microstate and model methods.

hoomd-rs* provides the boundary types Open, Closed, and Periodic.

• Open boundaries allow bodies and sites to exist anywhere in space.
• Closed boundaries limit bodies and sites to the inside of a shape and are not periodic in any direction.
• Periodic boundaries limit bodies and sites to the inside of a shape, wrap particles anywhere outside that shape back inside, and place ghosts following the periodic tiling of the shape.

The documentation of Closed and Periodic describes the shapes that they each implement. If the shape you want is not supported, you can write a custom shape type and implement IsInside so that it will work with Closed. To implement a custom periodic boundary, create your custom type and implement both Wrap and GenerateGhosts for it.

Structs

Closed

Restrict points to the inside of a shape.

Open

Allow bodies and sites to exist anywhere in space.

Periodic

Describe a simulation space that repeats in one or more directions.

Enums

Error

Enumerate possible sources of error in fallible boundary methods.

Traits

GenerateGhosts

Place periodic images of sites within the interaction range.

MaximumAllowableInteractionRange

Compute the largest value of the maximum interaction range.

Wrap

Attempt to move any body/site properties back into the simulation boundary.