hartree_local_types Module Reference

Data Types
type	ecoul_1center_type
type	hartree_local_type

Functions/Subroutines
subroutine, public	allocate_ecoul_1center (ecoul_1c, natom)
	...
subroutine, public	get_hartree_local (hartree_local, ecoul_1c)
	...
subroutine, public	hartree_local_create (hartree_local)
	...
subroutine, public	hartree_local_release (hartree_local)
	...
subroutine, public	set_ecoul_1c (ecoul_1c, iatom, ecoul_1_h, ecoul_1_s, ecoul_1_z, ecoul_1_0)
	...
subroutine, public	set_hartree_local (hartree_local, ecoul_1c)
	...

Function/Subroutine Documentation

allocate_ecoul_1center()

subroutine, public hartree_local_types::allocate_ecoul_1center	(	type(ecoul_1center_type), dimension(:), pointer	ecoul_1c,
		integer, intent(in)	natom
	)

...

Parameters

ecoul_1c	...
natom	...

Definition at line 57 of file hartree_local_types.F.

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get_hartree_local()

subroutine, public hartree_local_types::get_hartree_local	(	type(hartree_local_type), pointer	hartree_local,
		type(ecoul_1center_type), dimension(:), optional, pointer	ecoul_1c
	)

...

Parameters

hartree_local	...
ecoul_1c	...

Definition at line 113 of file hartree_local_types.F.

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hartree_local_create()

subroutine, public hartree_local_types::hartree_local_create

(

type(hartree_local_type), pointer

hartree_local

)

...

Parameters

hartree_local

...

Definition at line 127 of file hartree_local_types.F.

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hartree_local_release()

subroutine, public hartree_local_types::hartree_local_release

(

type(hartree_local_type), pointer

hartree_local

)

...

Parameters

hartree_local

...

Definition at line 141 of file hartree_local_types.F.

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set_ecoul_1c()

subroutine, public hartree_local_types::set_ecoul_1c	(	type(ecoul_1center_type), dimension(:), pointer	ecoul_1c,
		integer, intent(in), optional	iatom,
		real(dp), intent(in), optional	ecoul_1_h,
		real(dp), intent(in), optional	ecoul_1_s,
		real(dp), intent(in), optional	ecoul_1_z,
		real(dp), intent(in), optional	ecoul_1_0
	)

...

Parameters

ecoul_1c	...
iatom	...
ecoul_1_h	...
ecoul_1_s	...
ecoul_1_z	...
ecoul_1_0	...

Definition at line 164 of file hartree_local_types.F.

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set_hartree_local()

subroutine, public hartree_local_types::set_hartree_local	(	type(hartree_local_type), pointer	hartree_local,
		type(ecoul_1center_type), dimension(:), optional, pointer	ecoul_1c
	)

...

Parameters

hartree_local	...
ecoul_1c	...

Definition at line 185 of file hartree_local_types.F.

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