sc::SumDenFunctional - The SumDenFunctional computes energies and densities using the a sum of energy

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Version 2.3.1                                    Sun Oct 4 2020                          sc::SumDenFunctional(3)

sc::SumDenFunctional::SumDenFunctional(constRef<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>:()
         ]
       )

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

voidsc::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.

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

       #include <functional.h>

       Inherits sc::DenFunctional.

       Inherited by sc::StdDenFunctional.

   PublicMemberFunctionsSumDenFunctional (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.

   ProtectedAttributes
       int n_Ref< DenFunctional > * funcs_
       double * coefs_AdditionalInheritedMembers