testpdiff.cc File Reference

#include <madness/mra/mra.h>
#include <madness/constants.h>

Include dependency graph for testpdiff.cc:

Classes
struct	FunctorInterfaceWrapper

Typedefs
typedef Vector< double, NDIM >	coordT
typedef FunctionFactory< double, NDIM >	factoryT
typedef Function< double, NDIM >	functionT

Functions
double	dfunc (const coordT &r)
double	func (const coordT &r)
int	main (int argc, char **argv)

Variables
std::size_t	axis
static const double	L =2.0
static const std::size_t	NDIM =3

Typedef Documentation

coordT

typedef Vector<double,NDIM> coordT

factoryT

typedef FunctionFactory<double,NDIM> factoryT

functionT

typedef Function<double,NDIM> functionT

Function Documentation

dfunc()

double dfunc

(

const coordT &

r

)

References axis, d, L, NDIM, and madness::constants::pi.

Referenced by main().

func()

double func

(

const coordT &

r

)

References d, L, NDIM, and madness::constants::pi.

main()

int main	(	int	argc,
		char **	argv
	)

References axis, madness::BC_PERIODIC, SafeMPI::COMM_WORLD, dfunc(), e(), madness::Function< T, NDIM >::err(), madness::f, madness::Tensor< T >::fill(), madness::finalize(), madness::func(), madness::initialize(), L, NDIM, madness::print(), madness::World::rank(), madness::FunctionDefaults< NDIM >::set_cubic_cell(), madness::FunctionDefaults< NDIM >::set_k(), madness::FunctionDefaults< NDIM >::set_thresh(), and madness::startup().

Variable Documentation

axis

std::size_t axis

Referenced by NuclearVector::NuclearVector(), madness::SCF::analyze_vectors(), madness::apply_1d_realspace_push(), madness::FunctionImpl< T, NDIM >::apply_1d_realspace_push(), madness::FunctionImpl< T, NDIM >::apply_1d_realspace_push_op(), apply_laplacian(), apply_potential(), apply_potential(), madness::NuclearCorrelationFactor::apply_U(), apply_U_mix(), apply_U_ncf(), WSTFunctional::apply_xc(), madness::guessfactory::PolynomialFunctor::axis_to_string(), madness::HartreeFock< T, NDIM >::calculate_ke_sp(), madness::DFT< T, NDIM >::calculate_ke_sp(), PointGroup::cart_ir(), madness::MolecularOrbitals< T, NDIM >::compute_center(), madness::Znemo::compute_energy(), compute_energy(), compute_energy(), compute_energy(), compute_energy(), compute_energy(), madness::Nemo::compute_energy_regularized(), compute_energy_simple(), madness::NemoBase::compute_gradient(), madness::NemoBase::compute_kinetic_energy(), madness::NemoBase::compute_kinetic_energy2(), madness::F12Potentials::compute_regularized_fluctuation_matrix(), madness::F12Potentials::compute_regularized_fluctuation_matrix(), madness::F12Potentials::convolve_with_gradslater(), madness::F12Potentials::convolve_with_nonlocal_U(), madness::Molecule::core_derivative(), madness::CorePotentialManager::core_derivative(), madness::Molecule::core_potential_derivative(), madness::PotentialManager::core_projector_derivative(), madness::SCF::derivatives(), dfunc(), diff(), madness::SCF::dipole(), doit(), madness::NuclearCorrelationFactor::dsmoothed_unitvec(), energy(), energy(), energy(), madness::CoreOrbital::eval_derivative(), madness::CoreOrbital::eval_spherical_harmonics(), madness::free_space_derivative(), hamiltonian_matrix(), madness::NuclearCorrelationFactor::initialize(), kinetic_energy_matrix(), MiniDFT::kinetic_energy_matrix(), kinetic_energy_matrix2(), kinetic_energy_matrix_slow(), madness::Localizer::localize_boys(), main(), madness::Nemo::make_ddensity(), madness::Nemo::make_laplacian_density(), madness::MP2::make_Uphi0(), madness::EigSolver< T, NDIM >::matrix_element(), moments(), madness::MP2::multiply_with_0th_order_Hamiltonian(), madness::FunctionImpl< T, NDIM >::neighbor(), madness::FunctionImpl< T, NDIM >::neighbor_in_volume(), madness::Molecule::nuclear_attraction_potential_derivative(), madness::Molecule::nuclear_dipole(), madness::Molecule::nuclear_dipole_derivative(), nuclear_generator(), madness::Molecule::nuclear_repulsion_derivative(), BoysLocalization::operator()(), madness::periodic_derivative(), madness::EigSolver< T, NDIM >::print_matrix_elements(), pVp(), pVp(), run(), madness::NuclearCorrelationFactor::square_times_V_derivative(), test_diff(), madness::SRConf< T >::transform_dir(), madness::transform_dir(), madness::transform_dir(), and madness::NuclearCorrelationFactor::U1().

L

const double L =2.0

static

Referenced by dfunc(), func(), and main().

NDIM

const std::size_t NDIM =3

static

Referenced by dfunc(), func(), and main().