latx

Lightweight lattice and k-point utilities for periodic atomistic calculations.

Scope

• Direct and reciprocal lattice representations
• Fractional <-> Cartesian coordinate transforms
• Periodic image enumeration within a cutoff radius
• Monkhorst-Pack and Gamma-centered k-point meshes
• Optional symmetry-based k-point reduction through the symmetry feature

Units and Conventions

• Cartesian lengths use bohr
• Lattice matrices are row-major, with rows a1, a2, a3
• Reciprocal lattices use the 2pi convention

Features

• Default build: core lattice, image, and k-point functionality
• symmetry: enables symmetry-aware k-point reduction

Status

The crate builds as a library and is intended for integration into periodic simulation workflows.