moments_utils Module Reference

Calculates the moment integrals <a|r^m|b> More...

Functions/Subroutines
subroutine, public	get_reference_point (rpoint, drpoint, qs_env, fist_env, reference, ref_point, ifirst, ilast)
	...

Detailed Description

Calculates the moment integrals <a|r^m|b>

History

12.2007 [tlaino] - Splitting common routines to QS and FIST 06.2009 [tlaino] - Extending to molecular dipoles (interval of atoms)

Author

JGH (20.07.2006)

Function/Subroutine Documentation

get_reference_point()

subroutine, public moments_utils::get_reference_point	(	real(dp), dimension(3), intent(out)	rpoint,
		real(dp), dimension(3), intent(out), optional	drpoint,
		type(qs_environment_type), optional, pointer	qs_env,
		type(fist_environment_type), optional, pointer	fist_env,
		integer, intent(in)	reference,
		real(kind=dp), dimension(:), pointer	ref_point,
		integer, intent(in), optional	ifirst,
		integer, intent(in), optional	ilast
	)

...

Parameters

rpoint	...
drpoint	...
qs_env	...
fist_env	...
reference	...
ref_point	...
ifirst	...
ilast	...

Definition at line 59 of file moments_utils.F.

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