Public Member Functions
subroutine	iao_calculate_dmat_diag (cvec, density_matrix, occupation, uniform_occupation)
	Calculate the density matrix from fm vectors using occupation numbers.

subroutine	iao_calculate_dmat_full (cvec, density_matrix, weight, occmat)
	Calculate the density matrix from fm vectors using an occupation matrix.

Detailed Description

Definition at line 127 of file iao_analysis.F.

Member Function/Subroutine Documentation

subroutine iao_analysis::iao_calculate_dmat::iao_calculate_dmat_diag	(	type(cp_fm_type), intent(in)	cvec,
		type(dbcsr_type)	density_matrix,
		real(kind=dp), dimension(:), intent(in)	occupation,
		logical, intent(in)	uniform_occupation
	)

Calculate the density matrix from fm vectors using occupation numbers.

Parameters

Definition at line 848 of file iao_analysis.F.

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subroutine iao_analysis::iao_calculate_dmat::iao_calculate_dmat_full	(	type(cp_fm_type), intent(in)	cvec,
		type(dbcsr_type)	density_matrix,
		real(kind=dp), dimension(:), intent(in)	weight,
		type(cp_fm_type), intent(in)	occmat
	)

Calculate the density matrix from fm vectors using an occupation matrix.

Parameters

Definition at line 892 of file iao_analysis.F.

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The documentation for this interface was generated from the following file: