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MPQC
2.3.1
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An implementation of an angular integrator using the Gauss-Legendre weights and grid points. More...
#include <integrator.h>
Public Member Functions | |
| GaussLegendreAngularIntegrator (const Ref< KeyVal > &) | |
| Contract a GaussLegendreAngularIntegrator from KeyVal input. | |
| GaussLegendreAngularIntegrator (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. | |
| int | num_angular_points (double r_value, int ir) |
| double | angular_point_cartesian (int iangular, double r, SCVector3 &integration_point) const |
| void | print (std::ostream &=ExEnv::out0()) const |
| Print the object. | |
Protected Member Functions | |
| int | get_ntheta (void) const |
| void | set_ntheta (int i) |
| int | get_nphi (void) const |
| void | set_nphi (int i) |
| int | get_Ktheta (void) const |
| void | set_Ktheta (int i) |
| int | get_ntheta_r (void) const |
| void | set_ntheta_r (int i) |
| int | get_nphi_r (void) const |
| void | set_nphi_r (int i) |
| int | get_Ktheta_r (void) const |
| void | set_Ktheta_r (int i) |
| int | nw (void) const |
| double | sin_theta (SCVector3 &point) const |
| void | gauleg (double x1, double x2, int n) |
Protected Attributes | |
| int | ntheta_ |
| int | nphi_ |
| int | Ktheta_ |
| int | ntheta_r_ |
| int | nphi_r_ |
| int | Ktheta_r_ |
| double * | theta_quad_weights_ |
| double * | theta_quad_points_ |
An implementation of an angular integrator using the Gauss-Legendre weights and grid points.
Contract a GaussLegendreAngularIntegrator from KeyVal input.
This class is for testing, the LebedevLaikovIntegrator is preferred for normal use. The following parameters are read: ntheta, nphi, and Ktheta.
| void sc::GaussLegendreAngularIntegrator::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.