qs_charges_types Module Reference

container for information about total charges on the grids More...

Data Types
type	qs_charges_type
	Container for information about total charges on the grids. More...

Functions/Subroutines
subroutine, public	qs_charges_create (qs_charges, nspins, total_rho_core_rspace, total_rho_gspace)
	creates a charges object
subroutine, public	qs_charges_release (qs_charges)
	releases the charges object (see cp2k/doc/ReferenceCounting.html)

Detailed Description

container for information about total charges on the grids

History

10.2002 created [fawzi]

Author

Fawzi Mohamed

Function/Subroutine Documentation

qs_charges_create()

subroutine, public qs_charges_types::qs_charges_create	(	type(qs_charges_type), intent(out)	qs_charges,
		integer, intent(in)	nspins,
		real(kind=dp), intent(in), optional	total_rho_core_rspace,
		real(kind=dp), intent(in), optional	total_rho_gspace
	)

creates a charges object

Parameters

qs_charges	the charges object to create
nspins	...
total_rho_core_rspace	...
total_rho_gspace	...

History

10.2002 created [fawzi]

Author

Fawzi Mohamed

Definition at line 62 of file qs_charges_types.F.

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qs_charges_release()

subroutine, public qs_charges_types::qs_charges_release

(

type(qs_charges_type), intent(inout)

qs_charges

)

releases the charges object (see cp2k/doc/ReferenceCounting.html)

Parameters

qs_charges

the object to be released

History

10.2002 created [fawzi]

Author

Fawzi Mohamed

Definition at line 91 of file qs_charges_types.F.

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