sc::LebedevLaikovIntegrator(3) MPQC sc::LebedevLaikovIntegrator(3) NAME sc::LebedevLaikovIntegrator - An implementation of a Lebedev angular inte- grator. SYNOPSIS #include <integrator.h> Inherits sc::AngularIntegrator. Public Member Functions LebedevLaikovIntegrator (const Ref< KeyVal > &) Construct a LebedevLaikovIntegrator using the given KeyVal input. LebedevLaikovIntegrator (StateIn &) LebedevLaikovIntegrator (int) 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. int nw (void) const int num_angular_points (double r_value, int ir) double angular_point_cartesian (int iangular, double r, SCVector3 &integra- tion_point) const void print (std::ostream &=ExEnv::out0()) const Print the object. Public Member Functions inherited from sc::AngularIntegrator AngularIntegrator (const Ref< KeyVal > &) AngularIntegrator (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. virtual int nw (void) const =0 virtual int num_angular_points (double r_value, int ir)=0 virtual double angular_point_cartesian (int iangular, double r, SCVector3 &integration_point) const =0 Public Member Functions inherited from sc::SavableState SavableState & operator= (const SavableState &) void save_state (StateOut &) Save the state of the object as specified by the StateOut object. void save_object_state (StateOut &) This can be used for saving state when the exact type of the object is known for both the save and the restore. virtual void save_vbase_state (StateOut &) Save the virtual bases for the object. virtual 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. Public Member Functions inherited from sc::DescribedClass DescribedClass (const DescribedClass &) DescribedClass & operator= (const DescribedClass &) ClassDesc * class_desc () const throw () This returns the unique pointer to the ClassDesc corresponding to the given type_info object. const char * class_name () const Return the name of the object's exact type. int class_version () const Return the version of the class. virtual void print (std::ostream &=ExEnv::out0()) const Print the object. Public Member Functions inherited from sc::RefCount int lock_ptr () const Lock this object. int unlock_ptr () const Unlock this object. void use_locks (bool inVal) start and stop using locks on this object refcount_t nreference () const Return the reference count. refcount_t reference () Increment the reference count and return the new count. refcount_t dereference () Decrement the reference count and return the new count. int managed () const void unmanage () Turn off the reference counting mechanism for this object. int managed () const Return 1 if the object is managed. Otherwise return 0. Public Member Functions inherited from sc::Identity Identifier identifier () Return the Identifier for this argument. Protected Member Functions void init (int n) Protected Member Functions inherited from sc::SavableState SavableState (const SavableState &) SavableState (StateIn &) Each derived class StateIn CTOR handles the restore corresponding to calling save_object_state, save_vbase_state, and save_data_state listed above. Protected Member Functions inherited from sc::RefCount RefCount (const RefCount &) RefCount & operator= (const RefCount &) Protected Attributes int npoint_ double * x_ double * y_ double * z_ double * w_ Additional Inherited Members Static Public Member Functions inherited from sc::SavableState static void save_state (SavableState *s, StateOut &) static SavableState * restore_state (StateIn &si) Restores objects saved with save_state. static SavableState * key_restore_state (StateIn &si, const char *keyword) Like restore_state, but keyword is used to override values while restoring. static SavableState * dir_restore_state (StateIn &si, const char *object- name, const char *keyword=0) Detailed Description An implementation of a Lebedev angular integrator. It uses code written by Dr. Dmitri N. Laikov. This can generate grids with the following numbers of points: 6, 14, 26, 38, 50, 74, 86, 110, 146, 170, 194, 230, 266, 302, 350, 386, 434, 482, 530, 590, 650, 698, 770, 830, 890, 974, 1046, 1118, 1202, 1274, 1358, 1454, 1538, 1622, 1730, 1814, 1910, 2030, 2126, 2222, 2354, 2450, 2558, 2702, 2810, 2930, 3074, 3182, 3314, 3470, 3590, 3722, 3890, 4010, 4154, 4334, 4466, 4610, 4802, 4934, 5090, 5294, 5438, 5606, and 5810. V.I. Lebedev, and D.N. Laikov 'A quadrature formula for the sphere of the 131st algebraic order of accuracy' Doklady Mathematics, Vol. 59, No. 3, 1999, pp. 477-481. V.I. Lebedev 'A quadrature formula for the sphere of 59th algebraic order of accuracy' Russian Acad. Sci. Dokl. Math., Vol. 50, 1995, pp. 283-286. V.I. Lebedev, and A.L. Skorokhodov 'Quadrature formulas of orders 41, 47, and 53 for the sphere' Russian Acad. Sci. Dokl. Math., Vol. 45, 1992, pp. 587-592. V.I. Lebedev 'Spherical quadrature formulas exact to orders 25-29' Siberian Mathematical Journal, Vol. 18, 1977, pp. 99-107. V.I. Lebedev 'Quadratures on a sphere' Computational Mathematics and Mathe- matical Physics, Vol. 16, 1976, pp. 10-24. V.I. Lebedev 'Values of the nodes and weights of ninth to seventeenth order Gauss-Markov quadrature formulae invariant under the octahedron group with inversion' Computational Mathematics and Mathemati- cal Physics, Vol. 15, 1975, pp. 44-51. Constructor & Destructor Documentation sc::LebedevLaikovIntegrator::LebedevLaikovIntegrator (const Ref< KeyVal > &) Construct a LebedevLaikovIntegrator using the given KeyVal input. The n keyword gives the number of angular points. The default is 302. Member Function Documentation double sc::LebedevLaikovIntegrator::angular_point_cartesian (int iangular, double r, SCVector3 & integration_point) const [virtual] Implements sc::AngularIntegrator. int sc::LebedevLaikovIntegrator::num_angular_points (double r_value, int ir) [virtual] Implements sc::AngularIntegrator. int sc::LebedevLaikovIntegrator::nw (void) const [virtual] Implements sc::AngularIntegrator. void sc::LebedevLaikovIntegrator::print (std::ostream & = ExEnv::out0()) const [virtual] Print the object. Reimplemented from sc::DescribedClass. void sc::LebedevLaikovIntegrator::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::AngularIntegrator. Author Generated automatically by Doxygen for MPQC from the source code. Version 2.3.1 Thu Sep 3 2026 sc::LebedevLaikovIntegrator(3)
NAME | SYNOPSIS | Detailed Description | Constructor & Destructor Documentation | Member Function Documentation | Author
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