The exact inverse-overlap operator, grouped into overlap clusters. More...

Detailed Description

The exact inverse-overlap operator, grouped into overlap clusters.

Definition at line 164 of file nonlocal_overlap_matrix.F90.

Public Attributes
logical, public	use_global_coupling = .false.
	set when projector spheres share grid points (distinct atoms or periodic self-overlap), so the per-atom inverse would be approximate and the exact cluster inverse is used instead More...

logical, public	coupling_built = .false.
	cluster T assembled at least once More...

Private Member Functions
procedure	detect => overlap_matrix_detect

procedure	build => overlap_matrix_build

procedure	end => overlap_matrix_end

procedure	dapply => doverlap_matrix_apply

procedure	zapply => zoverlap_matrix_apply

Private Attributes
integer	ncluster = 0

integer, dimension(:), allocatable	proj_offset
	(nmat) offset of each matrix` slice in projection More...

type(overlap_cluster_t), dimension(:), allocatable	clusters

Member Function/Subroutine Documentation

◆ detect()

procedure nonlocal_overlap_matrix_oct_m::overlap_matrix_t::detect

private

Definition at line 173 of file nonlocal_overlap_matrix.F90.

◆ build()

procedure nonlocal_overlap_matrix_oct_m::overlap_matrix_t::build

private

Definition at line 174 of file nonlocal_overlap_matrix.F90.

◆ end()

procedure nonlocal_overlap_matrix_oct_m::overlap_matrix_t::end

private

Definition at line 175 of file nonlocal_overlap_matrix.F90.

◆ dapply()

procedure nonlocal_overlap_matrix_oct_m::overlap_matrix_t::dapply

private

Definition at line 176 of file nonlocal_overlap_matrix.F90.

◆ zapply()

procedure nonlocal_overlap_matrix_oct_m::overlap_matrix_t::zapply

private

Definition at line 177 of file nonlocal_overlap_matrix.F90.

Member Data Documentation

◆ use_global_coupling

logical, public nonlocal_overlap_matrix_oct_m::overlap_matrix_t::use_global_coupling = .false.

set when projector spheres share grid points (distinct atoms or periodic self-overlap), so the per-atom inverse would be approximate and the exact cluster inverse is used instead

Definition at line 167 of file nonlocal_overlap_matrix.F90.