ewalena Namespace Reference

Namespaces
namespace	Crystal
namespace	GeometryDescription
namespace	Math
	Math utilities.
namespace	MatrixTools
namespace	PhysicalConstants
	A library of fundamental Physical Constants.
namespace	TensorTools
namespace	Value
Classes
class	BasisBase
	Base class for canonical and real space basis states. More...
class	BasisData
	Data class for canonical and real space basis states. More...
class	GaussianTypeOrbital
	Origin-centered Gaussian functions for use in orbital calculations. More...
class	Matrix
struct	OrbitalType
class	Point
class	ScalarFieldBase
	Base class for scalar fields of empirical moduli. More...
class	SlaterTypeOrbital
	Origin-centered Slater-type functions for use in orbital calculations. More...
class	SolverBase
	Solver base for eigenspectrum problems. More...
class	SolverControl
	Solver control for eigenspectrum problems. More...
class	SolverJacobi
class	SolverQR
class	SolverQuadratic
class	SphericalHarmonicFunction
class	SuperMatrix
class	Tensor
class	TensorFieldBase
	Base class for tensor fields of empirical moduli. More...
class	Vector
class	VectorBasis
class	VectorFieldBase
	Base class for vector fields of empirical moduli. More...
Functions
template<int dim, typename ValueType >
Tensor< dim, 2, ValueType >	contract (const Tensor< dim, 2, ValueType > &T_a, const Tensor< dim, 4, ValueType > &T_b)
template<int dim, typename ValueType >
Tensor< dim, 2, ValueType >	contract (const Tensor< dim, 4, ValueType > &T_a, const Tensor< dim, 2, ValueType > &T_b)
template<int dim, typename ValueType >
Tensor< dim, 1, ValueType >	contract (const Tensor< dim, 3, ValueType > &T_a, const Tensor< dim, 2, ValueType > &T_b)
template<int dim, typename ValueType >
ValueType	integral (const GaussianTypeOrbital< dim, ValueType > &gaussian_i, const GaussianTypeOrbital< dim, ValueType > &gaussian_j)
template<int dim, typename ValueType >
ValueType	integral (const GaussianTypeOrbital< dim, ValueType > &gaussian_i, const GaussianTypeOrbital< dim, ValueType > &gaussian_j, const GaussianTypeOrbital< dim, ValueType > &gaussian_k, const GaussianTypeOrbital< dim, ValueType > &gaussian_l)
template<int dim, typename ValueType >
ValueType	laplacian (const GaussianTypeOrbital< dim, ValueType > &gaussian_i, const GaussianTypeOrbital< dim, ValueType > &gaussian_j)
template<typename ValueType >
ValueType	sign (const ValueType a, const ValueType b)

---

Function Documentation

template<int dim, typename ValueType >

Tensor<dim, 2, ValueType> ewalena::contract	(	const Tensor< dim, 2, ValueType > &	T_a,
		const Tensor< dim, 4, ValueType > &	T_b
	)		[inline]

Contract two normal ordered tenors .

template<int dim, typename ValueType >

Tensor<dim, 2, ValueType> ewalena::contract	(	const Tensor< dim, 4, ValueType > &	T_a,
		const Tensor< dim, 2, ValueType > &	T_b
	)		[inline]

Contract two normal ordered tenors .

template<int dim, typename ValueType >

Tensor<dim, 1, ValueType> ewalena::contract	(	const Tensor< dim, 3, ValueType > &	T_a,
		const Tensor< dim, 2, ValueType > &	T_b
	)		[inline]

Contract two normal ordered tenors .

template<int dim, typename ValueType >

ValueType ewalena::integral	(	const GaussianTypeOrbital< dim, ValueType > &	gaussian_i,
		const GaussianTypeOrbital< dim, ValueType > &	gaussian_j
	)		[inline]

template<int dim, typename ValueType >

ValueType ewalena::integral	(	const GaussianTypeOrbital< dim, ValueType > &	gaussian_i,
		const GaussianTypeOrbital< dim, ValueType > &	gaussian_j,
		const GaussianTypeOrbital< dim, ValueType > &	gaussian_k,
		const GaussianTypeOrbital< dim, ValueType > &	gaussian_l
	)		[inline]

template<int dim, typename ValueType >

ValueType ewalena::laplacian	(	const GaussianTypeOrbital< dim, ValueType > &	gaussian_i,
		const GaussianTypeOrbital< dim, ValueType > &	gaussian_j
	)		[inline]

template<typename ValueType >

ValueType ewalena::sign	(	const ValueType	a,
		const ValueType	b
	)		[inline]