pao_linpot_full Module Reference

Full parametrization of Fock matrix, ie. the identity parametrization. More...

Functions/Subroutines
subroutine, public	linpot_full_count_terms (qs_env, ikind, nterms)
	Count number of terms for given atomic kind.
subroutine, public	linpot_full_calc_terms (v_blocks)
	Builds potential terms.

Detailed Description

Full parametrization of Fock matrix, ie. the identity parametrization.

Author

Ole Schuett

Function/Subroutine Documentation

linpot_full_count_terms()

subroutine, public pao_linpot_full::linpot_full_count_terms	(	type(qs_environment_type), pointer	qs_env,
		integer, intent(in)	ikind,
		integer, intent(out)	nterms
	)

Count number of terms for given atomic kind.

Parameters

qs_env	...
ikind	...
nterms	...

Definition at line 37 of file pao_linpot_full.F.

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linpot_full_calc_terms()

subroutine, public pao_linpot_full::linpot_full_calc_terms

(

real(dp), dimension(:, :, :), intent(out)

v_blocks

)

Builds potential terms.

Parameters

V_blocks

...

Definition at line 57 of file pao_linpot_full.F.

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