Create new electronic solver. More...

Public Member Functions
subroutine	new (self, solver, overlap, nel, kt, comm)

Detailed Description

Create new electronic solver.

Constructor & Destructor Documentation

subroutine tblite_context_solver::new::new	(	class(context_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,
		integer, intent(in), optional	comm )

virtual

Parameters

[in,out]	self	Instance of the solver factory
[out]	solver	New electronic solver
[in]	overlap	Overlap matrix
[in]	kt	Electronic temperature
[in]	nel	Number of electrons per spin channel
[in]	comm	Communicator to distribute the diagonalization over, absent keeps it local

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