#include <madness/mra/mra.h>
#include <cstdint>
#include <string>
#include <vector>
#include "../chem/molecule.h"
#include "x_space.h"

Include dependency graph for Plot_VTK.h:

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Namespaces
namespace	madness
	Namespace for all elements and tools of MADNESS.

Functions
void	madness::do_response_density_vtk_plots (World &world, int npt_plot, double L, const Molecule &molecule, const real_function_3d &ground_density, const vector_real_function_3d &response_density)

void	madness::do_response_orbital_vtk_plots (World &world, int npt_plot, double L, const Molecule &molecule, const vector_real_function_3d &ground_orbs, const response_matrix &responseMatrix)

void	madness::do_vtk_plots (World &world, int npt_plot, double L, int lowest_orbital, int highest_orbital, const Molecule &molecule, std::vector< real_function_3d > densities, const std::string &name)

void	madness::do_vtk_plots (World &world, int npt_plot, double L, Molecule molecule, real_function_3d &rho_0, std::vector< real_function_3d > &rho_omega, std::vector< real_function_3d > &ground_orbitals, X_space &Chi)

void	madness::write_molecules_to_file (const Molecule &molecule, const std::string &geo_file)

Namespaces

Functions