eon.geometry.wire

Lists the wire Geometry can carry beyond positions and the cell.

readcon ConFrame is the on-disk codec. Geometry in schema/eon_job_result.capnp is the runtime contract. These lists are the append-only fields that keep forces, atom ids, and per-axis constraints on that contract. An empty list means the field is absent.

Module Contents

Functions

geometry_wire_lists

Return forces, atomId, and fixedAxes for one Structure.

API

eon.geometry.wire.geometry_wire_lists(structure: eon.structure.Structure, forces: Any = None) → dict[str, list[Any]]

Return forces, atomId, and fixedAxes for one Structure.