Documentation for module qs_diis_types

buffer for the diis of the scf

source: qs_diis_types.F
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public Types:

qs_diis_buffer_type
keeps a buffer with the previous values of s,p,k
qs_diis_buffer_type_sparse
build array of pointers to diis buffers for sparse matrix case

public Subroutines/Functions:

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

public Types:

TYPE :: qs_diis_buffer_type

keeps a buffer with the previous values of s,p,k


INTEGER
:: nbuffer ...
INTEGER
:: ncall ...
INTEGER
:: id_nr ...
INTEGER
:: ref_count ...
DIMENSION(:,:), POINTER :: error ...
DIMENSION(:,:), POINTER :: parameter ...
REAL(dp),
DIMENSION(:,:), POINTER :: b_matrix ...

TYPE :: qs_diis_buffer_type_sparse

build array of pointers to diis buffers for sparse matrix case


INTEGER
:: nbuffer ...
INTEGER
:: ncall ...
INTEGER
:: id_nr ...
INTEGER
:: ref_count ...
DIMENSION(:,:), POINTER :: error ...
DIMENSION(:,:), POINTER :: parameter ...
REAL(dp),
DIMENSION(:,:), POINTER :: b_matrix ...

SUBROUTINEqs_diis_b_release(diis_buffer)

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

Arguments:
POINTER
:: diis_buffer the buffer to release

SUBROUTINEqs_diis_b_release_sparse(diis_buffer)

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

Arguments:
POINTER
:: diis_buffer the buffer to release