qdk_chemistry.plugins.pyscf.population_analysis module

PySCF-based population analysis for qdk_chemistry.

class qdk_chemistry.plugins.pyscf.population_analysis.PyscfPopulationAnalysisSettings[source]

Bases: Settings

Settings for PySCF population analysis.

__init__()[source]

Initialize PySCF population-analysis settings.

class qdk_chemistry.plugins.pyscf.population_analysis.PyscfPopulationAnalyzer[source]

Bases: PopulationAnalyzer

PySCF implementation of Mulliken electron-population analysis.

__init__()[source]

Initialize the PySCF population analyzer.

name()[source]

Return the analyzer name.

Return type:

str