`eon.geometry.pbc`¶

Periodic boundary conditions and distance helpers.

Module Contents¶

Functions¶

`pbc`	Minimum-image convention for displacement(s).
`per_atom_norm`	Per-row Euclidean norm after PBC (shape `(N,)`).
`per_atom_norm_gen`	Yield per-row norms after PBC (legacy generator API).

API¶

eon.geometry.pbc.pbc(r, box, ibox: Optional[numpy.ndarray] = None) → numpy.ndarray¶

Minimum-image convention for displacement(s).

Parameters

r : (3,) or (N, 3) Displacement vector(s). box : (3, 3) Cell matrix (rows = lattice vectors). ibox : (3, 3), optional Inverse of box; computed if omitted.

eon.geometry.pbc.per_atom_norm(v, box, ibox: Optional[numpy.ndarray] = None) → numpy.ndarray¶: Per-row Euclidean norm after PBC (shape (N,)).

eon.geometry.pbc.per_atom_norm_gen(v, box, ibox: Optional[numpy.ndarray] = None)¶: Yield per-row norms after PBC (legacy generator API).