eon.geometry.cell

Cell matrix helpers (row-vector lattice, ASE/vesin convention).

Module Contents

Functions

length_angle_to_box	Convert cell lengths + angles (degrees) to a 3×3 row-vector box matrix.
box_to_length_angle	Inverse of :func:length_angle_to_box.

API

eon.geometry.cell.length_angle_to_box(boxlengths, angles) → numpy.ndarray

Convert cell lengths + angles (degrees) to a 3×3 row-vector box matrix.

eon.geometry.cell.box_to_length_angle(box) → tuple[numpy.ndarray, numpy.ndarray]

Inverse of :func:length_angle_to_box.