preconditioner_makes Module Reference

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

Functions/Subroutines
subroutine, public	make_preconditioner_matrix (preconditioner_env, matrix_h, matrix_s, matrix_t, mo_coeff, energy_homo, eigenvalues_ot, energy_gap, my_solver_type)
	... More...

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

make_preconditioner_matrix()

subroutine, public preconditioner_makes::make_preconditioner_matrix	(	type(preconditioner_type)	preconditioner_env,
		type(dbcsr_type), pointer	matrix_h,
		type(dbcsr_type), optional, pointer	matrix_s,
		type(dbcsr_type), optional, pointer	matrix_t,
		type(cp_fm_type), intent(in)	mo_coeff,
		real(kind=dp)	energy_homo,
		real(kind=dp), dimension(:)	eigenvalues_ot,
		real(kind=dp)	energy_gap,
		integer	my_solver_type
	)

...

Parameters

preconditioner_env	...
matrix_h	...
matrix_s	...
matrix_t	...
mo_coeff	...
energy_homo	...
eigenvalues_ot	...
energy_gap	...
my_solver_type	...

Definition at line 78 of file preconditioner_makes.F.

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