sci_form/materials/mod.rs
1//! Crystallographic materials: unit cells, space groups, framework assembly,
2//! and periodic geometry optimization.
3//!
4//! - [`cell`] — Unit cell construction from lattice parameters (a, b, c, α, β, γ).
5//! - [`space_groups`] — All 230 ITC space groups with symmetry operations.
6//! - [`sbu`] — Secondary Building Unit definitions for framework assembly.
7//! - [`assembly`] — MOF/COF framework assembly from topology + SBU + cell.
8//! - [`geometry_opt`] — BFGS and steepest-descent optimization with PBC.
9
10pub mod assembly;
11pub mod cell;
12pub mod cif;
13pub mod geometry_opt;
14pub mod sbu;
15pub mod space_groups;
16
17pub use assembly::*;
18pub use cell::*;
19pub use cif::*;
20pub use sbu::*;