PatchSet input documentation

Initialize PatchSet parameters.

Used to initialize class qimpy.transport.geometry.PatchSet.

YAML template:

svg-file: [string]          # Path to an SVG file containing the input geometry
svg-unit: 1.0               # Real length corresponding to one unit of distance in SVG.
grid-spacing: [float]       # Maximum spacing between grid points anywhere in the geometry.
contacts: [string or dict]  # Dictionary of contact names to parameters.
grid-size-max: 0            # Maximum grid points per dimension after quad subdvision.
save-rho: no                # Whether to write the full density matrices to the checkpoint file.

Parameters:

svg-file

Type: string

Path to an SVG file containing the input geometry:Path to an SVG file containing the input geometryyPath to an SVG file containing the input geometryaPath to an SVG file containing the input geometrymPath to an SVG file containing the input geometrylPath to an SVG file containing the input geometry:Path to an SVG file containing the input geometry`Path to an SVG file containing the input geometryPPath to an SVG file containing the input geometryaPath to an SVG file containing the input geometrytPath to an SVG file containing the input geometryhPath to an SVG file containing the input geometry Path to an SVG file containing the input geometrytPath to an SVG file containing the input geometryoPath to an SVG file containing the input geometry Path to an SVG file containing the input geometryaPath to an SVG file containing the input geometrynPath to an SVG file containing the input geometry Path to an SVG file containing the input geometrySPath to an SVG file containing the input geometryVPath to an SVG file containing the input geometryGPath to an SVG file containing the input geometry Path to an SVG file containing the input geometryfPath to an SVG file containing the input geometryiPath to an SVG file containing the input geometrylPath to an SVG file containing the input geometryePath to an SVG file containing the input geometry Path to an SVG file containing the input geometrycPath to an SVG file containing the input geometryoPath to an SVG file containing the input geometrynPath to an SVG file containing the input geometrytPath to an SVG file containing the input geometryaPath to an SVG file containing the input geometryiPath to an SVG file containing the input geometrynPath to an SVG file containing the input geometryiPath to an SVG file containing the input geometrynPath to an SVG file containing the input geometrygPath to an SVG file containing the input geometry Path to an SVG file containing the input geometrytPath to an SVG file containing the input geometryhPath to an SVG file containing the input geometryePath to an SVG file containing the input geometry Path to an SVG file containing the input geometryiPath to an SVG file containing the input geometrynPath to an SVG file containing the input geometrypPath to an SVG file containing the input geometryuPath to an SVG file containing the input geometrytPath to an SVG file containing the input geometry Path to an SVG file containing the input geometrygPath to an SVG file containing the input geometryePath to an SVG file containing the input geometryoPath to an SVG file containing the input geometrymPath to an SVG file containing the input geometryePath to an SVG file containing the input geometrytPath to an SVG file containing the input geometryrPath to an SVG file containing the input geometryyPath to an SVG file containing the input geometry.Path to an SVG file containing the input geometry

svg-unit

Type: float, Default: 1.0

Real length corresponding to one unit of distance in SVG.

grid-spacing

Type: float

Maximum spacing between grid points anywhere in the geometry. This is used to select the number of grid points in each domain.

contacts

Type: string or dict

Dictionary of contact names to parameters. The available contact parameters depend on the contact models implemented in the corresponding material.

grid-size-max

Type: int, Default: 0

Maximum grid points per dimension after quad subdvision. If 0, will be determined automatically from number of processes. Note that this only affects parallelization and performance by changing how data is divided into patches, and does not affect the accuracy of format of the output.

save-rho

Type: bool, Default: no

Whether to write the full density matrices to the checkpoint file. If not (default), only observables are written to the checkpoint file.