FrequencyResponse.cpp File Reference

#include "FrequencyResponse.hpp"
#include "SCF.h"
#include "funcdefaults.h"
#include "functypedefs.h"
#include "response_macrotask.hpp"
#include "timer.h"
#include "x_space.h"
#include <filesystem>

Include dependency graph for FrequencyResponse.cpp:

Functions
auto	dipole_generator (World &world, ResponseBase &calc) -> X_space
auto	nuclear_generator (World &world, ResponseBase &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,
		ResponseBase &	calc
	)		-> X_space

References d, f, molecule, and vector_to_PQ().

Referenced by main().

nuclear_generator()

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

References axis, func(), molecule, truncate_mode, and vector_to_PQ().

Referenced by main().

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(), pi, and print().

Referenced by dipole_generator(), and nuclear_generator().