MADNESS
0.10.1
|
#include <madness.h>
#include <madness/world/test_utilities.h>
#include <madness/chem/IntegratorXX.h>
Classes | |
struct | spherical_harmonic |
Functions | |
double | dx2y2_func (const Vector< double, 3 > &r) |
double | dxy_func (const Vector< double, 3 > &r) |
double | dxz_func (const Vector< double, 3 > &r) |
double | dyz_func (const Vector< double, 3 > &r) |
double | dz2_func (const Vector< double, 3 > &r) |
int | main (int argc, char **argv) |
double | px_func (const Vector< double, 3 > &r) |
double | py_func (const Vector< double, 3 > &r) |
double | pz_func (const Vector< double, 3 > &r) |
double | s_func (const Vector< double, 3 > &r) |
int | test_construction () |
int | test_integration (World &world) |
double dx2y2_func | ( | const Vector< double, 3 > & | r | ) |
References madness::inner().
Referenced by spherical_harmonic::spherical_harmonic().
double dxy_func | ( | const Vector< double, 3 > & | r | ) |
References madness::inner().
Referenced by spherical_harmonic::spherical_harmonic().
double dxz_func | ( | const Vector< double, 3 > & | r | ) |
References madness::inner().
Referenced by spherical_harmonic::spherical_harmonic().
double dyz_func | ( | const Vector< double, 3 > & | r | ) |
References madness::inner().
Referenced by spherical_harmonic::spherical_harmonic().
double dz2_func | ( | const Vector< double, 3 > & | r | ) |
References madness::inner().
Referenced by spherical_harmonic::spherical_harmonic().
int main | ( | int | argc, |
char ** | argv | ||
) |
References madness::WorldGopInterface::fence(), madness::finalize(), madness::World::gop, madness::initialize(), madness::FunctionDefaults< NDIM >::set_cubic_cell(), madness::FunctionDefaults< NDIM >::set_k(), madness::FunctionDefaults< NDIM >::set_thresh(), madness::startup(), test_construction(), and test_integration().
double px_func | ( | const Vector< double, 3 > & | r | ) |
References madness::inner().
Referenced by spherical_harmonic::spherical_harmonic().
double py_func | ( | const Vector< double, 3 > & | r | ) |
References madness::inner().
Referenced by spherical_harmonic::spherical_harmonic().
double pz_func | ( | const Vector< double, 3 > & | r | ) |
References madness::inner().
Referenced by spherical_harmonic::spherical_harmonic().
double s_func | ( | const Vector< double, 3 > & | r | ) |
References madness::inner().
Referenced by spherical_harmonic::spherical_harmonic().
int test_construction | ( | ) |
References madness::test_output::end(), GridBuilder::get_points(), GridBuilder::make_grid(), and madness::points.
Referenced by main().
int test_integration | ( | World & | world | ) |
References std::abs(), madness::test_output::checkpoint(), madness::test_output::end(), madness::error(), exact, madness::f, GridBuilder::get_angular_order(), GridBuilder::get_nradial(), GridBuilder::get_points(), GridBuilder::get_weights(), madness::inner(), m, GridBuilder::make_grid(), madness::Function< T, NDIM >::norm2(), madness::points, pow(), madness::print(), madness::r2(), GridBuilder::set_angular_order(), GridBuilder::set_nradial(), GridBuilder::set_origin(), madness::BaseTensor::size(), and madness::weights.
Referenced by main().