Implement triclinic and general hyperparallelepiped boxes

Cargo.toml

@@ -75,6 +75,7 @@ divan = "=0.1.21"
 paste = "=1.0.15"
 rand_sfc = "=0.2.0"
 rstest = "=0.26.1"
+rstest_reuse = "=0.7.0"
 tempfile = "=3.27.0"
 strum = "=0.28.0"
 strum_macros = "=0.28.0"

doc/src/credits.md

@@ -2,9 +2,10 @@
 
 The following people have contributed to *hoomd-rs*:
 
-* Alex Lee, University of Michigan
-* Domagoj Fijan, University of Michigan
+* Joshua A. Anderson, University of Michigan
 * Jen Bradley, University of Michigan
 * Joseph Burkhart, University of Michigan
-* Joshua A. Anderson, University of Michigan
+* Domagoj Fijan, University of Michigan
+* Alex Lee, University of Michigan
+* Trevor Teague, University of Michigan
 * Michelle Thran, University of Michigan

doc/src/release-notes.md

@@ -3,7 +3,8 @@
 ## Next release
 
 *Added:*
-
+* `[hoomd-geometry]`: Adds new shapes, `Hyperparallelepiped`, `Triclinic`, and `Rhomboid` for use in simulations with sheared boxes. All shapes can be used as boundary conditions for simulations, although `Triclinic`, and `Rhomboid` should be preferred for simulations in 2D/3D.
+* `[hoomd-linear-algebra]` As a helper method for inverting matrices in a numerically stable way, `qr` has also been added as a method to the `matrix` crate to calculate the QR factorization of a tall matrix.
 * `[hoomd-manifold]`: Add `Spherical<4>::from_versor` and the corresponding `::to_versor` (#285).
 * `[hoomd-mc]`: Implement translation moves for `Point<Spherical<4>>` (#287).
 * `[hoomd-utility]`: Implement `Eq`, `PartialOrd`, and `Ord` for `PositiveReal` (#287).

hoomd-geometry/Cargo.toml

@@ -37,6 +37,7 @@ assert2.workspace = true
 approxim.workspace = true
 divan.workspace = true
 rstest.workspace = true
+rstest_reuse.workspace = true
 
 [[bench]]
 name = "overlaps"

hoomd-geometry/src/lib.rs

@@ -125,6 +125,7 @@ mod convex;
 pub use convex::Convex;
 
 pub mod shape;
+pub mod shapemoves;
 pub mod xenocollide;
 
 /// The N-hypervolume of a geometry. In 2D, this is area and in 3D this is Volume.

hoomd-geometry/src/shape/mod.rs

@@ -20,6 +20,15 @@ pub use convex_polytope::{ConvexPolygon, ConvexPolyhedron, ConvexPolytope};
 mod cuboid;
 pub use cuboid::{Cuboid, Hypercuboid, Rectangle};
 
+mod parallelepiped;
+pub use parallelepiped::{Hyperparallelepiped, Parallelepiped, Parallelogram};
+
+mod rhomboid;
+pub use rhomboid::Rhomboid;
+
+mod triclinic;
+pub use triclinic::Triclinic;
+
 mod cylinder;
 pub use cylinder::Cylinder;