FrequencyResponse.cpp File Reference

#include "FrequencyResponse.hpp"
#include "property.h"

Include dependency graph for FrequencyResponse.cpp:

Functions
auto	dipole_generator (World &world, FrequencyResponse &calc) -> X_space
auto	nuclear_generator (World &world, FrequencyResponse &calc) -> X_space
auto	vector_to_PQ (World &world, const vector_real_function_3d &rhs_operators, const vector_real_function_3d &ground_orbitals) -> response_space

Function Documentation

dipole_generator()

auto dipole_generator	(	World &	world,
		FrequencyResponse &	calc
	)		-> X_space

References madness::response_space::copy(), d(), f, madness::WorldGopInterface::fence(), madness::World::gop, molecule, print(), madness::World::rank(), vector_to_PQ(), madness::X_space::x, and madness::X_space::y.

Referenced by main(), and TEST_CASE().

nuclear_generator()

auto nuclear_generator	(	World &	world,
		FrequencyResponse &	calc
	)		-> X_space

References axis, func(), molecule, madness::Molecule::natom(), truncate_mode, vector_to_PQ(), madness::X_space::x, and madness::X_space::y.

Referenced by main(), and TEST_CASE().

vector_to_PQ()

auto vector_to_PQ	(	World &	world,
		const vector_real_function_3d &	rhs_operators,
		const vector_real_function_3d &	ground_orbitals
	)		-> response_space

References b, copy(), madness::mul(), pi, madness::reconstruct(), madness::World::size(), and truncate().

Referenced by dipole_generator(), and nuclear_generator().