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sc::SumDenFunctional(3)		     MPQC	       sc::SumDenFunctional(3)

NAME
       sc::SumDenFunctional - The SumDenFunctional computes energies and
       densities using the a sum of energy density functions method.

SYNOPSIS
       #include	<functional.h>

       Inherits	sc::DenFunctional.

       Inherited by sc::StdDenFunctional.

   Public Member Functions
       SumDenFunctional	(const Ref< KeyVal > &)
	   This	KeyVal constructor reads the following keywords:
       SumDenFunctional	(StateIn &)
       void save_data_state (StateOut &)
	   Save	the base classes (with save_data_state)	and the	members	in the
	   same	order that the StateIn CTOR initializes	them.
       void set_spin_polarized (int)
       void set_compute_potential (int)
       int need_density_gradient ()
       void point (const PointInputData	&, PointOutputData &)
       void print (std::ostream	&=ExEnv::out0()) const
	   Print the object.
       double a0 () const
	   Override the	DenFunctional::a0() member, so that a0's in
	   contributing	functionals can	be added in as well.

   Protected Attributes
       int n_
       Ref< DenFunctional > * funcs_
       double *	coefs_

   Additional Inherited	Members
Detailed Description
       The SumDenFunctional computes energies and densities using the a	sum of
       energy density functions	method.

Constructor & Destructor Documentation
   sc::SumDenFunctional::SumDenFunctional (const Ref< KeyVal > &)
       This KeyVal constructor reads the following keywords:

       funcs
	   Specifies an	array of DenIntegrator objects.

       coefs
	   Specifies the coefficient of	each DenIntegrator object.

       a0  Specifies the coefficient of	the Hartree-Fock exchange. This	is
	   nonzero for hybrid functionals. The default is zero.

       For example, the	B3LYP functional can be	specified with the following
       input:

       functional<SumDenFunctional>: (
	 a0 = 0.2
	 coefs = [ 0.8 0.72 0.19 0.81 ]
	 funcs:	[
	   <SlaterXFunctional>:()
	   <Becke88XFunctional>:()
	   <VWN1LCFunctional>:(	rpa = 1	)
	   <LYPCFunctional>:()
	 ]
       )

Member Function	Documentation
   double sc::SumDenFunctional::a0 () const [virtual]
       Override	the DenFunctional::a0()	member,	so that	a0's in	contributing
       functionals can be added	in as well.

       Reimplemented from sc::DenFunctional.

   void	sc::SumDenFunctional::save_data_state (StateOut	&) [virtual]
       Save the	base classes (with save_data_state) and	the members in the
       same order that the StateIn CTOR	initializes them. This must be
       implemented by the derived class	if the class has data.

       Reimplemented from sc::DenFunctional.

       Reimplemented in	sc::StdDenFunctional.

Author
       Generated automatically by Doxygen for MPQC from	the source code.

Version	2.3.1			Mon Jul	3 2017	       sc::SumDenFunctional(3)

NAME | SYNOPSIS | Detailed Description | Constructor & Destructor Documentation | Member Function Documentation | Author

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