ParameterGrid

class ParameterGrid(spatial_regions=None, function=None, configuration=None)

Provides an interface to setup a scalar field filled with custom values.

Parameters:
  • spatial_regions (array of SpatialRegion objects) – The spatial regions in which to set the c parameter.
    Default: None
  • function (function) – A python function. Takes one keyword argument “position” which has to be a triple of coordinates (x,y,z) in units of length. Function returns a unitless scalar (float). E.g function=(lambda position : sum(position.inUnitsOf(Bohr)**2) ).
    Default: None
  • configuration (MoleculeConfiguration | BulkConfiguration | DeviceConfiguration | SurfaceConfiguration) – The configuration based on which to construct the grid. Must have a calculator attached.
    Default: None