tblite_lapack_solver Module Reference

LAPACK based eigenvalue solvers. More...

Data Types
type	lapack_solver
	Generator for LAPACK based electronic solvers. More...

Functions/Subroutines
subroutine	new (self, solver, overlap, nel, kt)
	Create new electronic solver.

Variables
type(enum_lapack), parameter, public	lapack_algorithm = enum_lapack()
	Actual enumerator of possible solvers.

Detailed Description

LAPACK based eigenvalue solvers.

Function/Subroutine Documentation

new()

subroutine tblite_lapack_solver::new	(	class(lapack_solver), intent(inout)	self,
		class(solver_type), intent(out), allocatable	solver,
		real(wp), dimension(:, :), intent(in)	overlap,
		real(wp), dimension(:), intent(in)	nel,
		real(wp), intent(in)	kt )

Create new electronic solver.

Parameters

[in,out]	self	Instance of the solver factory
[out]	solver	New electronic solver
[in]	overlap	Overlap matrix
[in]	nel	Number of electrons per spin channel
[in]	kt	Electronic temperature