population_analyses.F File Reference

#include "./base/base_uses.f90"

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Modules
module	population_analyses
	Provide various population analyses and print the requested output information.

Functions/Subroutines
subroutine, public	population_analyses::lowdin_population_analysis (qs_env, output_unit, print_level)
	Perform a Lowdin population analysis based on a symmetric orthogonalisation of the density matrix using S^(1/2)
subroutine, public	population_analyses::mulliken_population_analysis (qs_env, output_unit, print_level)
	Perform a Mulliken population analysis.