qs_diis_types Module Reference

buffer for the diis of the scf More...

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

Detailed Description

buffer for the diis of the scf

History

02.2003 rewamped [fawzi]

Author

Matthias Krack

Function/Subroutine Documentation

qs_diis_b_release()

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

History

02.2003 created [fawzi]

Author

fawzi

Definition at line 110 of file qs_diis_types.F.

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qs_diis_b_release_sparse()

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

History

10-11-14 created [FA] modified from qs_diis_b_release

Author

Fredy W. Aquino

Definition at line 128 of file qs_diis_types.F.

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qs_diis_b_release_kp()

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.

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