preconditioner_apply Module Reference

computes preconditioners, and implements methods to apply them currently used in qs_ot More...

Functions/Subroutines
subroutine, public	apply_preconditioner_fm (preconditioner_env, matrix_in, matrix_out)
	applies a previously created preconditioner to a full matrix
subroutine, public	apply_preconditioner_dbcsr (preconditioner_env, matrix_in, matrix_out)
	...
subroutine, public	apply_preconditioner_cfm_complex (preconditioner_env, matrix_in, matrix_out)
	Apply a complex k-point orbital preconditioner.
subroutine, public	apply_preconditioner_dbcsr_complex (preconditioner_env, matrix_in_re, matrix_in_im, matrix_out_re, matrix_out_im)
	Apply a complex orbital preconditioner to paired real/imaginary DBCSR matrices.

Detailed Description

computes preconditioners, and implements methods to apply them currently used in qs_ot

History

• [UB] 2009-05-13 Adding stable approximate inverse (full and sparse)

Author

Joost VandeVondele (09.2002)

Function/Subroutine Documentation

apply_preconditioner_fm()

subroutine, public preconditioner_apply::apply_preconditioner_fm	(	type(preconditioner_type)	preconditioner_env,
		type(cp_fm_type), intent(in)	matrix_in,
		type(cp_fm_type), intent(in)	matrix_out )

applies a previously created preconditioner to a full matrix

Parameters

preconditioner_env	...
matrix_in	...
matrix_out	...

Definition at line 75 of file preconditioner_apply.F.

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apply_preconditioner_dbcsr()

subroutine, public preconditioner_apply::apply_preconditioner_dbcsr	(	type(preconditioner_type)	preconditioner_env,
		type(dbcsr_type)	matrix_in,
		type(dbcsr_type)	matrix_out )

...

Parameters

preconditioner_env	...
matrix_in	...
matrix_out	...

Definition at line 126 of file preconditioner_apply.F.

apply_preconditioner_cfm_complex()

subroutine, public preconditioner_apply::apply_preconditioner_cfm_complex	(	type(preconditioner_type)	preconditioner_env,
		type(cp_cfm_type), intent(in)	matrix_in,
		type(cp_cfm_type), intent(inout)	matrix_out )

Apply a complex k-point orbital preconditioner.

Parameters

preconditioner_env	complex preconditioner storage
matrix_in	complex input channel
matrix_out	complex output channel

Definition at line 178 of file preconditioner_apply.F.

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apply_preconditioner_dbcsr_complex()

subroutine, public preconditioner_apply::apply_preconditioner_dbcsr_complex	(	type(preconditioner_type)	preconditioner_env,
		type(dbcsr_type)	matrix_in_re,
		type(dbcsr_type)	matrix_in_im,
		type(dbcsr_type)	matrix_out_re,
		type(dbcsr_type)	matrix_out_im )

Apply a complex orbital preconditioner to paired real/imaginary DBCSR matrices.

Parameters

preconditioner_env	complex k-point preconditioner
matrix_in_re	real input channel
matrix_in_im	imaginary input channel
matrix_out_re	real output channel
matrix_out_im	imaginary output channel

Definition at line 333 of file preconditioner_apply.F.

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