Module materials 

Crystallographic materials: unit cells, space groups, framework assembly, and periodic geometry optimization.

• cell — Unit cell construction from lattice parameters (a, b, c, α, β, γ).
• space_groups — All 230 ITC space groups with symmetry operations.
• sbu — Secondary Building Unit definitions for framework assembly.
• assembly — MOF/COF framework assembly from topology + SBU + cell.
• geometry_opt — BFGS and steepest-descent optimization with PBC.

Re-exports

pub use assembly::*;

pub use cell::*;

pub use sbu::*;

Modules

assembly

Framework assembly: connecting SBUs into periodic crystal structures.

cell

Unit cell definition with lattice vectors and periodic boundary conditions.

geometry_opt

Framework geometry optimization under periodic boundary conditions.

sbu

Secondary Building Unit (SBU) representation for framework assembly.

space_groups

Crystallographic space groups (230 groups).