Definition of the semi empirical multipole integral expansions types. More...

Data Types
type	nddo_mpole_type
	Global Multipolar NDDO information type. More...

type	semi_empirical_mpole_p_type
	Semi-empirical integral multipole expansion type - pointer type. More...

type	semi_empirical_mpole_type
	Semi-empirical integral multipole expansion type. More...

Functions/Subroutines
subroutine, public	semi_empirical_mpole_p_create (mpole, ndim)
	Allocate semi-empirical mpole type.

subroutine, public	semi_empirical_mpole_p_release (mpole)
	Deallocate the semi-empirical mpole type.

subroutine, public	nddo_mpole_create (nddo_mpole)
	Allocate NDDO multipole type.

subroutine, public	nddo_mpole_release (nddo_mpole)
	Deallocate NDDO multipole type.

Detailed Description

Definition of the semi empirical multipole integral expansions types.

Function/Subroutine Documentation

subroutine, public semi_empirical_mpole_types::semi_empirical_mpole_p_create	(	type(semi_empirical_mpole_p_type), dimension(:), pointer	mpole,
		integer, intent(in)	ndim
	)

Allocate semi-empirical mpole type.

Parameters

mpole	...
ndim	...

Here is the caller graph for this function:

subroutine, public semi_empirical_mpole_types::semi_empirical_mpole_p_release ( type(semi_empirical_mpole_p_type), dimension(:), pointer mpole )

Deallocate the semi-empirical mpole type.

Parameters

mpole ...

Here is the caller graph for this function:

subroutine, public semi_empirical_mpole_types::nddo_mpole_create ( type(nddo_mpole_type), pointer nddo_mpole )

Allocate NDDO multipole type.

Parameters

nddo_mpole ...

Here is the caller graph for this function:

subroutine, public semi_empirical_mpole_types::nddo_mpole_release ( type(nddo_mpole_type), pointer nddo_mpole )

Deallocate NDDO multipole type.

Parameters

nddo_mpole ...

Here is the caller graph for this function: