MADNESS 0.10.1
Classes | Typedefs | Functions
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< cfunctionTcvecfuncT
 
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< operatorTpoperatorT
 
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< rfunctionTrvecfuncT
 
typedef std::vector< functionTvecfuncT
 

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 
)

◆ 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, and v.

◆ 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, 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, conj(), gradop, I, inner(), k, k0, k1, k2, matrix_inner(), NDIM, and v.

◆ operator>>()

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

◆ print_cube() [1/3]

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

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