esolver.h File Reference

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Classes
struct	KPoint

Typedefs
typedef Function< std::complex< double >, 3 >	cfunctionT
typedef Vector< double, 3 >	coordT
typedef Tensor< std::complex< double > >	ctensorT
typedef std::vector< cfunctionT >	cvecfuncT
typedef FunctionFactory< std::complex< double >, 3 >	factoryT
typedef Function< std::complex< double >, 3 >	functionT
typedef std::shared_ptr< FunctionFunctorInterface< std::complex< double >, 3 > >	functorT
typedef SeparatedConvolution< double, 3 >	operatorT
typedef std::shared_ptr< WorldDCPmapInterface< Key< 3 > > >	pmapT
typedef std::shared_ptr< operatorT>	poperatorT
typedef FunctionFactory< double, 3 >	rfactoryT
typedef Function< double, 3 >	rfunctionT
typedef std::shared_ptr< FunctionFunctorInterface< double, 3 > >	rfunctorT
typedef Tensor< double >	rtensorT
typedef std::vector< rfunctionT >	rvecfuncT
typedef std::vector< functionT >	vecfuncT

Functions
bool	is_equal (double val1, double val2, double eps)
template<typename Q, int NDIM>
ctensorT	kinetic_energy_matrix (World &world, const std::vector< Function< std::complex< Q >, NDIM > > &v, const bool periodic, const KPoint k=KPoint(coordT(0.0), 0.0))
template<typename Q, int NDIM>
ctensorT	kinetic_energy_matrix2 (World &world, const std::vector< Function< std::complex< Q >, NDIM > > &v)
template<typename Q, int NDIM>
ctensorT	kinetic_energy_matrix_slow (World &world, const std::vector< Function< std::complex< Q >, NDIM > > &v, const bool periodic, const KPoint k=KPoint(coordT(0.0), 0.0))
std::istream &	operator>> (std::istream &is, KPoint &kpt)
void	print_cube (World &world, const Function< double, 3 > &f, int npts)
void	print_cube (World &world, const Function< double, 3 > &f1, const Function< double, 3 > &f2, const Function< double, 3 > &f3, int npts)
void	print_cube (World &world, const Function< double, 3 > &f1, const Function< double, 3 > &f2, int npts)

Typedef Documentation

cfunctionT

typedef Function<std::complex<double>,3> cfunctionT

coordT

typedef Vector<double,3> coordT

ctensorT

typedef Tensor< std::complex<double> > ctensorT

cvecfuncT

typedef std::vector<cfunctionT> cvecfuncT

factoryT

typedef FunctionFactory<std::complex<double>,3> factoryT

functionT

typedef Function<std::complex<double>,3> functionT

functorT

typedef std::shared_ptr< FunctionFunctorInterface<std::complex<double>,3> > functorT

operatorT

typedef SeparatedConvolution<double,3> operatorT

pmapT

typedef std::shared_ptr< WorldDCPmapInterface< Key<3> > > pmapT

poperatorT

typedef std::shared_ptr<operatorT> poperatorT

rfactoryT

typedef FunctionFactory<double,3> rfactoryT

rfunctionT

typedef Function<double,3> rfunctionT

rfunctorT

typedef std::shared_ptr< FunctionFunctorInterface<double,3> > rfunctorT

rtensorT

typedef Tensor<double> rtensorT

rvecfuncT

typedef std::vector<rfunctionT> rvecfuncT

vecfuncT

typedef std::vector<functionT> vecfuncT

Function Documentation

is_equal()

bool is_equal	(	double	val1,
		double	val2,
		double	eps )

References d.

Referenced by madness::Solver< T, NDIM >::do_rhs(), and madness::Solver< T, NDIM >::do_rhs_simple().

kinetic_energy_matrix()

template<typename Q, int NDIM>

ctensorT kinetic_energy_matrix	(	World &	world,
		const std::vector< Function< std::complex< Q >, NDIM > > &	v,
		const bool	periodic,
		const KPoint	k = KPoint(coordT(0.0), 0.0) )

References apply(), axis, c, gradop, I, k, matrix_inner(), NDIM, one(), and v.

Referenced by madness::Solver< T, NDIM >::build_fock_matrix(), and madness::Solver< T, NDIM >::print_fock_matrix_eigs().

kinetic_energy_matrix2()

template<typename Q, int NDIM>

ctensorT kinetic_energy_matrix2	(	World &	world,
		const std::vector< Function< std::complex< Q >, NDIM > > &	v )

References apply(), axis, c, gradop, I, matrix_inner(), NDIM, one(), and v.

kinetic_energy_matrix_slow()

template<typename Q, int NDIM>

ctensorT kinetic_energy_matrix_slow	(	World &	world,
		const std::vector< Function< std::complex< Q >, NDIM > > &	v,
		const bool	periodic,
		const KPoint	k = KPoint(coordT(0.0), 0.0) )

References apply(), axis, c, gradop, I, inner(), k, k0, k1, k2, matrix_inner(), NDIM, and v.

Referenced by madness::Solver< T, NDIM >::initial_guess().

operator>>()

std::istream & operator>>	(	std::istream &	is,
		KPoint &	kpt )

References KPoint::begin, KPoint::end, KPoint::k, and KPoint::weight.

print_cube() [1/3]

void print_cube	(	World &	world,
		const Function< double, 3 > &	f,
		int	npts )

References f, k, npts, and p().

print_cube() [2/3]

void print_cube	(	World &	world,
		const Function< double, 3 > &	f1,
		const Function< double, 3 > &	f2,
		const Function< double, 3 > &	f3,
		int	npts )

References f1, f2, f3, k, npts, and p().

print_cube() [3/3]

void print_cube	(	World &	world,
		const Function< double, 3 > &	f1,
		const Function< double, 3 > &	f2,
		int	npts )

References f1, f2, k, npts, and p().