This class is used to specify boundary conditions for all operators. More...

#include <bc.h>

Public Member Functions
	BoundaryConditions (BCType code=BC_FREE)
	Constructor. Default boundary condition set to free space.
	BoundaryConditions (const BoundaryConditions< NDIM > &other)
	Copy constructor is deep.
template<std::size_t N = NDIM, typename = std::enable_if_t<N!=0>>
	BoundaryConditions (const std::array< BCType, N *2 > &bc_per_boundary)
	Constructor sets boundary condition per boundary.
template<std::size_t N = NDIM, typename = std::enable_if_t<N!=0>>
	BoundaryConditions (const std::array< BCType, N > &bc_per_axis)
	Constructor sets boundary condition per axis.
template<std::size_t ND = NDIM>
std::enable_if_t< ND<=NDIM, array_of_bools< ND > >	is_periodic () const
	Convenience for application of integral operators.
bool	is_periodic_all () const
	Checks whether the boundary condition along all axes is periodic.
bool	is_periodic_any () const
	Checks whether the boundary condition along any axis is periodic.
std::array< LatticeRange, NDIM >	lattice_range () const
template<std::size_t ND = NDIM>
std::enable_if_t< ND<=NDIM, std::array< KernelRange, ND > >	make_range (unsigned int r, std::optional< double > sigma={}) const
	Convenience for construction of range-restricted integral operators.
std::vector< KernelRange >	make_range_vector (unsigned int r, std::optional< double > sigma={}) const
	Convenience for construction of range-restricted integral operators.
BCType &	operator() (std::size_t d, int i)
	Returns reference to boundary condition.
BCType	operator() (std::size_t d, int i) const
	Returns value of boundary condition.
BoundaryConditions< NDIM > &	operator= (const BoundaryConditions< NDIM > &other)
	Assignment makes deep copy.
template<typename Archive>
void	serialize (const Archive &ar)

Static Public Member Functions
static const char *	code_as_string (BCType code)
	Translates code into human readable string.

Private Attributes
BCType	bc [NDIM *2]

Detailed Description

template<std::size_t NDIM>
class madness::BoundaryConditions< NDIM >

This class is used to specify boundary conditions for all operators.

Exterior boundary conditions (i.e., on the simulation domain) are associated with operators (not functions). The types of boundary conditions available are in the enum BCType.

The default boundary conditions are obtained from the FunctionDefaults. For non-zero Dirichlet and Neumann conditions additional information must be provided when derivative operators are constructed. For integral operators, only periodic and free space are supported.

Constructor & Destructor Documentation

◆ BoundaryConditions() [1/4]

template<std::size_t NDIM>

madness::BoundaryConditions< NDIM >::BoundaryConditions ( BCType code = BC_FREE )

inline

Constructor. Default boundary condition set to free space.

References bc, madness::BC_FREE, and NDIM.

Referenced by BoundaryConditions(), and operator=().

◆ BoundaryConditions() [2/4]

template<std::size_t NDIM>

template<std::size_t N = NDIM, typename = std::enable_if_t<N!=0>>

madness::BoundaryConditions< NDIM >::BoundaryConditions ( const std::array< BCType, N > & bc_per_axis )

inline

Constructor sets boundary condition per axis.

References bc, and NDIM.

◆ BoundaryConditions() [3/4]

template<std::size_t NDIM>

template<std::size_t N = NDIM, typename = std::enable_if_t<N!=0>>

madness::BoundaryConditions< NDIM >::BoundaryConditions ( const std::array< BCType, N *2 > & bc_per_boundary )

inline

Constructor sets boundary condition per boundary.

References bc, and NDIM.

◆ BoundaryConditions() [4/4]

template<std::size_t NDIM>

madness::BoundaryConditions< NDIM >::BoundaryConditions ( const BoundaryConditions< NDIM > & other )

inline

Copy constructor is deep.

References BoundaryConditions().

Member Function Documentation

◆ code_as_string()

template<std::size_t NDIM>

const char * madness::BoundaryConditions< NDIM >::code_as_string ( BCType code )

inlinestatic

Translates code into human readable string.

Parameters

code	Code for boundary condition

Returns: String describing boundary condition code

◆ is_periodic()

template<std::size_t NDIM>

template<std::size_t ND = NDIM>

std::enable_if_t< ND<=NDIM, array_of_bools< ND > > madness::BoundaryConditions< NDIM >::is_periodic ( ) const

inline

Convenience for application of integral operators.

Returns: Returns a vector indicating if dimensions [0, ND) are periodic

References bc, madness::BC_PERIODIC, d, MADNESS_ASSERT, and v.

Referenced by lattice_range().

◆ is_periodic_all()

template<std::size_t NDIM>

bool madness::BoundaryConditions< NDIM >::is_periodic_all ( ) const

inline

Checks whether the boundary condition along all axes is periodic.

Returns: Returns true if every dimension is periodic

References bc, madness::BC_PERIODIC, d, MADNESS_ASSERT, and NDIM.

◆ is_periodic_any()

template<std::size_t NDIM>

bool madness::BoundaryConditions< NDIM >::is_periodic_any ( ) const

inline

Checks whether the boundary condition along any axis is periodic.

Returns: Returns true if any dimension is periodic

References bc, madness::BC_PERIODIC, d, MADNESS_ASSERT, and NDIM.

◆ lattice_range()

template<std::size_t NDIM>

std::array< LatticeRange, NDIM > madness::BoundaryConditions< NDIM >::lattice_range ( ) const

inline

References is_periodic(), and NDIM.

Referenced by main().

◆ make_range()

template<std::size_t NDIM>

template<std::size_t ND = NDIM>

std::enable_if_t< ND<=NDIM, std::array< KernelRange, ND > > madness::BoundaryConditions< NDIM >::make_range	(	unsigned int	r,
		std::optional< double >	sigma = {} ) const

inline

Convenience for construction of range-restricted integral operators.

constructs array of KernelRange objects for every dimension; for every periodic dimension the range is restricted according to r and sigma

Parameters

r	range extent in simulation cell units; kernel is restricted to [-r/2, r/2]
sigma	optional smoothing paramter (in simulation cell units); if given, use erf-attenuated range restriction (

See also: KernelRange::Type)

Returns: an array of kernel ranges for each dimension

References sigma.

◆ make_range_vector()

template<std::size_t NDIM>

std::vector< KernelRange > madness::BoundaryConditions< NDIM >::make_range_vector	(	unsigned int	r,
		std::optional< double >	sigma = {} ) const

inline

Convenience for construction of range-restricted integral operators.

Note: same as make_range(), but makes a std::vector constructs vector of KernelRange objects for every dimension; for every periodic dimension the range is restricted according to r and sigma

Parameters

r	range extent in simulation cell units; kernel is restricted to [-r/2, r/2]
sigma	optional smoothing paramter (in simulation cell units); if given, use erf-attenuated range restriction (

See also: KernelRange::Type)

Returns: a vector of kernel ranges for each dimension

References sigma.

◆ operator()() [1/2]

template<std::size_t NDIM>

BCType & madness::BoundaryConditions< NDIM >::operator()	(	std::size_t	d,
		int	i )

inline

Returns reference to boundary condition.

Parameters

d	Dimension (0,...,NDIM-1) for boundary condition
i	Side (0=left, 1=right) for boundary condition

Returns: Value of boundary condition

References bc, d, and MADNESS_ASSERT.

◆ operator()() [2/2]

template<std::size_t NDIM>

BCType madness::BoundaryConditions< NDIM >::operator()	(	std::size_t	d,
		int	i ) const

inline

Returns value of boundary condition.

Parameters

d	Dimension (0,...,NDIM-1) for boundary condition
i	Side (0=left, 1=right) for boundary condition

Returns: Value of boundary condition

References bc, d, and MADNESS_ASSERT.

◆ operator=()

template<std::size_t NDIM>

BoundaryConditions< NDIM > & madness::BoundaryConditions< NDIM >::operator= ( const BoundaryConditions< NDIM > & other )

inline

Assignment makes deep copy.

References BoundaryConditions(), bc, and NDIM.

◆ serialize()

template<std::size_t NDIM>

template<typename Archive>

void madness::BoundaryConditions< NDIM >::serialize ( const Archive & ar )

inline

References bc.

Member Data Documentation

◆ bc

template<std::size_t NDIM>

BCType madness::BoundaryConditions< NDIM >::bc[NDIM *2]

private

Referenced by BoundaryConditions(), BoundaryConditions(), BoundaryConditions(), is_periodic(), is_periodic_all(), is_periodic_any(), operator()(), operator()(), operator=(), and serialize().

The documentation for this class was generated from the following file:

bc.h

Public Member Functions

Static Public Member Functions

Private Attributes

Detailed Description

Constructor & Destructor Documentation

◆ BoundaryConditions() [1/4]

◆ BoundaryConditions() [2/4]

◆ BoundaryConditions() [3/4]

◆ BoundaryConditions() [4/4]

Member Function Documentation

◆ code_as_string()

◆ is_periodic()

◆ is_periodic_all()

◆ is_periodic_any()

◆ lattice_range()

◆ make_range()

◆ make_range_vector()

◆ operator()() [1/2]

◆ operator()() [2/2]

◆ operator=()

◆ serialize()

Member Data Documentation

◆ bc