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 d, madness::f, madness::WorldGopInterface::fence(), madness::World::gop, molecule, madness::nonlinear_vector_solver(), madness::print(), madness::World::rank(), and vector_to_PQ().

Referenced by main(), main(), TEST_CASE(), and TEST_CASE().

nuclear_generator()

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

References axis, madness::func(), molecule, madness::Molecule::natom(), madness::nonlinear_vector_solver(), truncate_mode, and vector_to_PQ().

Referenced by main(), TEST_CASE(), 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, madness::copy(), madness::mul(), madness::nonlinear_vector_solver(), pi, madness::reconstruct(), madness::World::size(), and madness::truncate().

Referenced by dipole_generator(), and nuclear_generator().