gradient.hpp File Reference

#include <array>
#include <cmath>
#include <vector>
#include "layer_0_core/math/spherical/harmonics.hpp"
#include "layer_0_core/types/init.hpp"
#include "layer_4_computation/paw/one_center/angular_grid.hpp"

Go to the source code of this file.

Classes
struct	q3::paw_one_center::GradientAtRadius
	∇n at one radius, for every angular point: radial part, tangential part, σ. More...

Namespaces
namespace	q3
namespace	q3::paw_one_center

Functions
GradientAtRadius	q3::paw_one_center::build_gradient_at_radius (const std::vector< Real > &channel_values, const std::vector< Real > &channel_derivatives, Real radius, const std::vector< std::vector< Real > > &harmonics, const std::vector< std::vector< std::array< Real, 3 > > > &harmonic_gradients)
std::vector< Real >	q3::paw_one_center::radial_derivative (const std::vector< Real > &values, const std::vector< Real > &measures, int mesh_size)
std::vector< std::vector< std::array< Real, 3 > > >	q3::paw_one_center::tabulate_harmonic_gradients (const std::vector< AngularPoint > &angular_grid, int number_of_lm)