Public Member Functions
subroutine	get_density (self, hmat, smat, eval, focc, density, error)

Constructor & Destructor Documentation

◆ get_density()

subroutine tblite_scf_solver::get_density::get_density	(	class(solver_type), intent(inout)	self,
		real(wp), dimension(:, :, :), intent(inout), contiguous	hmat,
		real(wp), dimension(:, :), intent(in), contiguous	smat,
		real(wp), dimension(:, :), intent(inout), contiguous	eval,
		real(wp), dimension(:, :), intent(inout), contiguous	focc,
		real(wp), dimension(:, :, :), intent(inout), contiguous	density,
		type(error_type), intent(out), allocatable	error )

virtual

Parameters

[in,out]	self	Solver for the general eigenvalue problem
[in]	smat	Overlap matrix
[in,out]	hmat	Hamiltonian matrix, can contains eigenvectors on output
[in,out]	eval	Eigenvalues
[in,out]	focc	Occupation numbers
[in,out]	density	Density matrix
[out]	error	Error handling

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