1.1.0

Highlights:

hoomd-rs 1.1 adds a new shape type, ConvexSurfaceMesh2d. Provide a set of points and ConvexSurfaceMesh2d will construct the vertices and edges of the convex hull. Intersection tests between two ConvexSurfaceMesh2d shapes take approximately half the time of intersection tests between two Convex(ConvexPolygon) shapes. Therefore, you should prefer ConvexSurfaceMesh2d for simulations of hard convex polygons. Use ConvexPolygon when you have mixed shape types or are modeling spheropolygons. ConvexSurfaceMesh2d implements Volume and IsPointInside, making it viable for use as a closed boundary condition.

hoomd-rs 1.1 also adds apply_with_filter and related methods to Sweep. Use apply_with_filter to model systems where some bodies remain fixed in space. The new Seeded Self-Assembly tutorial demonstrates apply_with_filter.

Added:

• [hoomd-geometry]: Add ConvexSurfaceMesh2d shape that stores the vertices and edges of a convex polygon. Initialize a ConvexSurfaceMesh2d as the convex hull of a point set (#259).
• [hoomd-geometry]: Implement IntersectsAt for ConvexSurfaceMesh2d intersection tests.
  The separating planes method is faster for small n than the Xenocollide
  algorithm implemented for Convex<ConvexPolygon> (#260).
• [hoomd-mc]: Add TuneOptions type that describes move size tuning options (#268).
• [hoomd-mc]: Added Tune::tune_with_options associated method that tunes trial move sizes with options passed via TuneOptions (#268).
• [hoomd-mc]: Added Sweep::apply_with_filter associated method that applies trial moves only to bodies that match a filter. For example, use apply_with_filter to keep a crystal seed fixed during the simulation (#268).
• [hoomd-mc]: Added Sweep::tune_with_options_and_filter associated method that tunes trial move sizes while only applying trial moves to bodies that match a filter. Use tune_with_options_and_filter with the same filter given to apply_with_filter to accurately tune move sizes (#268).
• [tutorial]: Added Seeded Self-Assembly tutorial (#268).

Changed:

• [benchmarks]: Adjust benchmark parameters to make accurate comparisons with HOOMD-blue (#260).
• [hoomd-geometry]: Store ConvexPolytope vertices using an ArrayVec so that
  ConvexPolytope can now be stored on the stack (#259).
• [hoomd-geometry]: Remove unnecessary trait bounds on IntersectsAt implementation (#260).

Deprecated:

• [hoomd-mc]: Deprecated Tune::tune. Use tune_with_options (#268).
• [hoomd-mc]: Deprecated Tune::tune_default. Use tune_with_options(..., &TuneOptions::default()) (#268).

1.0.2

Fixed:

• Trusted publishing workflow.

1.0.1

Fixed:

• hoomd-microstate documentation builds on docs.rs (#253).
• Unit tests pass on the Windows native platform (#253).

1.0.0

Initial release.