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sc::RadialAngularIntegrator Class Reference An implementation of an integrator using any combination of a RadianIntegrator and an AngularIntegrator. More... #include <integrator.h> Inheritance diagram for sc::RadialAngularIntegrator: [legend]Collaboration diagram for sc::RadialAngularIntegrator: [legend]List of all members. Public Methods   RadialAngularIntegrator ()   RadialAngularIntegrator (const Ref< KeyVal > &)   RadialAngularIntegrator (StateIn &)   ~RadialAngularIntegrator () 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. More... void  integrate (const Ref< DenFunctional > &, const RefSymmSCMatrix &densa=0, const RefSymmSCMatrix &densb=0, double *nuclear_gradient=0)   Performs the integration of the given functional using the given alpha and beta density matrices. More... void  print (std::ostream &=ExEnv::out0()) const   Print the object. AngularIntegrator *  get_angular_grid (double radius, double atomic_radius, int charge, int deriv_order) RadialIntegrator *  get_radial_grid (int charge, int deriv_order) void  init_default_grids (void) int  angular_grid_offset (int i) void  set_grids (void) int  get_atomic_row (int i) void  init_parameters (void) void  init_parameters (const Ref< KeyVal > &keyval) void  init_pruning_coefficients (const Ref< KeyVal > &keyval) void  init_pruning_coefficients (void) void  init_alpha_coefficients (void) int  select_dynamic_grid (void) Ref< IntegrationWeight >  weight () Protected Attributes Ref< IntegrationWeight >  weight_ Ref< RadialIntegrator >  radial_user_ Ref< AngularIntegrator >  angular_user_ Ref< AngularIntegrator > ***  angular_grid_ Ref< RadialIntegrator > **  radial_grid_ Detailed Description An implementation of an integrator using any combination of a RadianIntegrator and an AngularIntegrator. Member Function Documentation void sc::RadialAngularIntegrator::integrate (  const Ref< DenFunctional > &   , const RefSymmSCMatrix &    densa = 0, const RefSymmSCMatrix &    densb = 0, double *    nuclear_gradient = 0 )  [virtual]   Performs the integration of the given functional using the given alpha and beta density matrices. The nuclear derivative contribution is placed in nuclear_grad, if it is non-null. Implements sc::DenIntegrator. void sc::RadialAngularIntegrator::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::DenIntegrator. The documentation for this class was generated from the following file: integrator.h