qs_scf_subspace_types.F File Reference

#include "./base/base_uses.f90"

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Data Types
type	qs_scf_subspace_types::qs_scf_subspace_buffer_type
	History buffer holding strictly paired P and F[P] SCF states. More...

Modules
module	qs_scf_subspace_types
	Data types for the ADIIS SCF subspace accelerator.

Functions/Subroutines
pure subroutine, public	qs_scf_subspace_types::qs_scf_subspace_buffer_create (buffer, nbuffer)
	Initialize SCF subspace history metadata.
pure subroutine, public	qs_scf_subspace_types::qs_scf_subspace_buffer_clear (buffer)
	Clear logical history while retaining allocated matrix storage.
subroutine, public	qs_scf_subspace_types::qs_scf_subspace_buffer_release (buffer)
	Release all matrices and scalar storage owned by a subspace buffer.