buffer for the diis of the scf More...

Data Types
type	qs_diis_buffer_type
	keeps a buffer with the previous values of s,p,k More...

type	qs_diis_buffer_type_kp
	build arrau of pointers to diis buffers in the k-point (complex full matrices) case More...

type	qs_diis_buffer_type_sparse
	build array of pointers to diis buffers for sparse matrix case More...

Functions/Subroutines
subroutine, public	qs_diis_b_release (diis_buffer)
	releases the given diis buffer (see doc/ReferenceCounting.html)

subroutine, public	qs_diis_b_release_sparse (diis_buffer)
	releases the given diis buffer (see doc/ReferenceCounting.html)

subroutine, public	qs_diis_b_release_kp (diis_buffer)
	releases the given diis KP buffer

Detailed Description

buffer for the diis of the scf

Function/Subroutine Documentation

subroutine, public qs_diis_types::qs_diis_b_release ( type(qs_diis_buffer_type), intent(inout) diis_buffer )

releases the given diis buffer (see doc/ReferenceCounting.html)

Parameters

diis_buffer the buffer to release

Definition at line 110 of file qs_diis_types.F.

Here is the caller graph for this function:

subroutine, public qs_diis_types::qs_diis_b_release_sparse ( type(qs_diis_buffer_type_sparse), intent(inout) diis_buffer )

releases the given diis buffer (see doc/ReferenceCounting.html)

Parameters

diis_buffer the buffer to release

Definition at line 128 of file qs_diis_types.F.

Here is the call graph for this function:

Here is the caller graph for this function:

subroutine, public qs_diis_types::qs_diis_b_release_kp ( type(qs_diis_buffer_type_kp), intent(inout) diis_buffer )

releases the given diis KP buffer

Parameters

diis_buffer the buffer to release

Definition at line 161 of file qs_diis_types.F.

Here is the call graph for this function:

Here is the caller graph for this function: