semi_empirical_store_int_types Module Reference

Type to store integrals for semi-empirical calculations. More...

Data Types
type	semi_empirical_si_type
	Semi-empirical store integrals type. More...

Functions/Subroutines
subroutine, public	semi_empirical_si_create (store_int_env, se_section, compression)
	Allocate semi-empirical store integrals type.
subroutine, public	semi_empirical_si_release (store_int_env)
	Deallocate the semi-empirical store integrals type.
subroutine, public	semi_empirical_si_initialize (store_int_env, geometry_did_change)
	Deallocate the semi-empirical store integrals type.
subroutine, public	semi_empirical_si_finalize (store_int_env, geometry_did_change)
	Deallocate the semi-empirical store integrals type.

Detailed Description

Type to store integrals for semi-empirical calculations.

Author

Teodoro Laino [tlaino] - University of Zurich

Date

05.2008

Function/Subroutine Documentation

semi_empirical_si_create()

subroutine, public semi_empirical_store_int_types::semi_empirical_si_create	(	type(semi_empirical_si_type), pointer	store_int_env,
		type(section_vals_type), pointer	se_section,
		logical, intent(in), optional	compression
	)

Allocate semi-empirical store integrals type.

Parameters

store_int_env	...
se_section	...
compression	...

Date

05.2008

Author

Teodoro Laino [tlaino] - University of Zurich

Definition at line 70 of file semi_empirical_store_int_types.F.

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semi_empirical_si_release()

subroutine, public semi_empirical_store_int_types::semi_empirical_si_release

(

type(semi_empirical_si_type), pointer

store_int_env

)

Deallocate the semi-empirical store integrals type.

Parameters

store_int_env

...

Date

05.2008

Author

Teodoro Laino [tlaino] - University of Zurich

Definition at line 126 of file semi_empirical_store_int_types.F.

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semi_empirical_si_initialize()

subroutine, public semi_empirical_store_int_types::semi_empirical_si_initialize	(	type(semi_empirical_si_type), pointer	store_int_env,
		logical, intent(in)	geometry_did_change
	)

Deallocate the semi-empirical store integrals type.

Parameters

store_int_env	...
geometry_did_change	...

Date

05.2008

Author

Teodoro Laino [tlaino] - University of Zurich

Definition at line 166 of file semi_empirical_store_int_types.F.

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semi_empirical_si_finalize()

subroutine, public semi_empirical_store_int_types::semi_empirical_si_finalize	(	type(semi_empirical_si_type), pointer	store_int_env,
		logical, intent(in)	geometry_did_change
	)

Deallocate the semi-empirical store integrals type.

Parameters

store_int_env	...
geometry_did_change	...

Date

05.2008

Author

Teodoro Laino [tlaino] - University of Zurich

Definition at line 218 of file semi_empirical_store_int_types.F.

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