Release Notes

1.2.0 (2026-07-07)

Highlights:

hoomd-rs 1.2 can perform molecular dynamics simulations with the new hoomd-md crate! The release also expands the Monte Carlo capabilities of high dimensional and curved space simulations.

Added:

• [hoomd-derive]: Derive macros for NetSiteForceAndVirial and NetSiteForceVirialAndTorque (#222).
• [hoomd-geometry]: Add TwelveTwelve hyperbolic space boundary condition (#296).
• [hoomd-interaction]: Add SiteForceAndVirial, SiteForceVirialAndTorque, NetSiteForceAndVirial, and NetSiteForceVirialAndTorque traits. Implement them for all applicable types (#222).
• [hoomd-interaction]: Add NetBodyForceAndVirial and NetBodyForceVirialAndTorque traits. Implement them for the new Rigid force interaction model type (#222).
• [hoomd-interaction]: Add ConstantForce and ConstantTorque types that apply a constant force or torque to all sites (#222).
• [hoomd-manifold]: Add Spherical<4>::from_versor and the corresponding ::to_versor (#285).
• [hoomd-mc]: Implement translation moves for Point<Spherical<4>> (#287).
• [hoomd-mc]: Implement BodyDistribution for DynamicPoint and DynamicOrientedPoint (#222).
• [hoomd-md]: Add the hoomd-md crate that implements constant volume integration for translational and rotational degrees of freedom, momentum scaling thermostats, and methods to thermalize and zero system momentum (#222).
• [hoomd-microstate]: Implement AppendMicrostate for the site types Point<Spherical<3>>, Point<Spherical<4>>, OrientedHyperbolicPoint<3, Angle>, and Point<Hyperbolic<3>> (#286).
• [hoomd-microstate]: Add Mass, Momentum, MomentOfInertia, AngularMomentum, NetForce, and NetTorque traits (#222).
• [hoomd-microstate]: Add DynamicPoint and DynamicOrientedPoint body property types. Implement boundary and transform traits for them (#222).
• [hoomd-utility]: Implement Eq, PartialOrd, and Ord for PositiveReal (#287).
• [hoomd-vector]: Implement Cartesian<4>::counary_cross (#305).
• [hoomd-vector]: Implement wedge and outer product traits (#222).
• [hoomd-vector]: Add Quaternion::pure constructor that forms a pure quaternion from a vector (#222).

Changed:

• [hoomd-mc]: Improve the numerical stability of translation moves for Point<Spherical<3>> (#287).
• [hoomd-geometry]: Improve performance ConvexPolytope intersection tests (#332).
• [hoomd-mc]: HypercuboidCheckerboard now builds in an arbitrary number of dimensions (#318).
• [hoomd-vector]: n_dimensions is now an associated method (#222).
• Build the documentation with mdBook 0.5.3 (#295).

Fixed:

• [hoomd-manifold]: Fixed numerical stability issue in Spherical<3>::distance where the dot product could result in an out of bounds value (#285).
• [hoomd-manifold]: Improved numerical stability of Hyperbolic space (#303).

1.1.0 (2026-04-17)

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 (2026-03-20)

Fixed:

• Trusted publishing workflow.

1.0.1 (2026-03-20)

Fixed:

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

1.0.0 (2026-03-17)

Initial release.