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intrcmap_1dchain

Generate an interaction map for a 1D chain.

Call build_geometry(geo_cfg) to construct a Geometry, then pass it here. The TOML keys below are the fields that belong in the [geometry] section.

intrcmap_1dchain 

intrcmap_1dchain(geo: Geometry) -> List[Interaction2Site]

Generate an interaction map for a 1D chain.

Produces nearest-neighbor (NN) bonds along the chain and, when bcx='PBC', a single periodic bond connecting the two ends. Coupling constants are not set; cpl is 0.0 on all returned objects.

Parameters:

Name Type Description Default
geo Geometry

Fully-resolved geometry struct for the 1D chain. Relevant config keys (read from geo.cfg):

  • bcx — boundary condition ('OBC' or 'PBC').
  • n2x — include NN bonds (default True).
 required

Returns:

Type Description
List[Interaction2Site]

Interaction objects sorted by leading_site. Tensor fields are None; cpl is 0.0.

TOML Keys

Key Type Default Description
lx int required Number of sites
bcx str "OBC" Boundary condition: "OBC" or "PBC"
n2x bool true Include nearest-neighbor bonds

See Also