`pemtk.sym._dipoleTerms`

Compute dipole terms and allowed product functions for libmsym and symmetrized harmonics routines.

17/04/23 v1

Module Contents

`dipoleTermsSymHarm`(self[, reCartMap, dimMap])	Compute dipole terms from symHarm object.
`allowedProductsTable`(self)	Compute allowed continuum X dipole terms.
`assignSymMuTerms`(self[, keyDim, dataType, dimMap, ...])	Assign matrix elements from dipole-allowed symmetries, and associated mu values.
`assignMissingSym`(self, dim, values[, dataType, multiInd])	Replace values in dim, for levels of a (Symmetry style) MultiIndex.
`assignMissingSymProd`(self[, dim, dataType, multiIndName])	Assign missing symmetry label as direct product of other existing labels.

pemtk.sym._dipoleTerms.dipoleTermsSymHarm(self, reCartMap={-1: 'y', 0: 'z', 1: 'x'}, dimMap={'C': 'Cont', 'mu': 'it'})[source]: Compute dipole terms from symHarm object.

pemtk.sym._dipoleTerms.allowedProductsTable(self)[source]: Compute allowed continuum X dipole terms.

pemtk.sym._dipoleTerms.assignSymMuTerms(self, keyDim='Cont', dataType='matE', dimMap=None, dataTypeOut='symAllowed')[source]

Assign matrix elements from dipole-allowed symmetries, and associated mu values.

20/04/23 v2 - use self.continuum instead of basic direct product for assignments 18/04/23 v1

pemtk.sym._dipoleTerms.assignMissingSym(self, dim, values, dataType='matE', multiInd='Sym')[source]

Replace values in dim, for levels of a (Symmetry style) MultiIndex.

Use this to change symmetry labels, e.g. to replace missing symmetries assigned as ‘U’.

Parameters:

dim (str) – Dimension to replace, from matE dataType. Can be [‘Cont’,’Targ’,’Total’]
values (str, list or array) – If string, all values are replace by this. If list or array must match size of existing coords.
dataType (str, optional, default = 'matE') – DataType to use, from self.coeffs[dataType] Must correspond to Xarray variable with multiInd present.
multiInd (str, optional, default = 'Sym') – MultiIndex containing levels to replace.

pemtk.sym._dipoleTerms.assignMissingSymProd(self, dim='Total', dataType='matE', multiIndName='Sym')[source]

Assign missing symmetry label as direct product of other existing labels.

For a given dimension, assign values from other dims of the same multiindex set.

Parameters:

dim (str, default = 'Total') – Dimension to replace, from matE dataType. For usual matrix elements definition this can be [‘Cont’,’Targ’,’Total’]
dataType (str, optional, default = 'matE') – DataType to use, from self.coeffs[dataType] Must correspond to Xarray variable with multiInd present.
multiIndName (str, optional, default = 'Sym') – MultiIndex containing levels to replace.

Notes

Default case uses dim = ‘Total’, dataType = ‘matE’, multiIndName = ‘Sym’. Sym contains dims ‘Sym’: [‘Cont’, ‘Targ’, ‘Total’] (See ep.dataTypesList())