Abstract base class for creating electronic solver instances. More...

Inheritance diagram for tblite_context_solver::context_solver:

Public Member Functions
procedure(new), deferred	new (self, solver, overlap, nel, kt, comm)
	Create new instance of electronic solver.
procedure(delete), deferred	delete (self, solver)
	Delete an electronic solver instance.
procedure	distributed_columns (self, n, comm)
	Opt in only when the factory accepts column-distributed input matrices.

Detailed Description

Abstract base class for creating electronic solver instances.

Member Function/Subroutine Documentation

procedure(delete), deferred tblite_context_solver::context_solver::delete	(	class(context_solver), intent(inout)	self,
		class(solver_type), intent(inout), allocatable	solver )

pure virtual

Delete an electronic solver instance.

Parameters

[in,out]	self	Instance of the solver factory
[in,out]	solver	Electronic solver instance

procedure tblite_context_solver::context_solver::distributed_columns	(	class(context_solver), intent(in)	self,
		integer, intent(in)	n,
		integer, intent(in), optional	comm )

Opt in only when the factory accepts column-distributed input matrices.

Parameters

[in]	self	Instance of the solver factory
[in]	n	Global dimension of the eigenvalue problem
[in]	comm	Communicator for distributed matrices, if requested

procedure(new), deferred tblite_context_solver::context_solver::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 )

pure virtual

Create new instance of electronic solver.

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 type was generated from the following file: