Namespaces
namespace	mathConstants

namespace	mathFunctions

namespace	mpi

namespace	PeriodicTableInternal

namespace	SplineInternal

namespace	splineInternal

namespace	stringOps

namespace	TimerInternal

Classes
class	ConditionalOStream
	Provides an interface to print based on whether a certain condition is met or not. Typical use cases include: (a) printing based on different verbosity level (b) printing only from a certain processor while running in parallel. More...

class	ConditionalOStreamDefaults

class	DiscontiguousDataOperations

class	ExpModX

class	Function

class	LogModX

class	MemoryManager

class	MemoryManager< ValueType, MemorySpace::HOST >

class	MemoryStorage

class	MemoryTransfer

class	MemoryTransfer< MemorySpace::HOST, MemorySpace::HOST >

class	MPICommunicatorP2PKernels

class	OptimizedIndexSet

class	PeriodicTableManager
	Provides a map from Atomic Number to Atomic Symbol. More...

class	PointChargePotentialFunction

class	PointImpl

class	Profiler

class	RandNumGen

class	RandNumGen< double >

class	RandNumGen< float >

class	RandNumGen< int >

class	RandNumGen< long >

class	RandNumGen< long double >

class	RandNumGen< long long >

class	RandNumGen< short >

class	RandNumGen< std::complex< double > >

class	RandNumGen< std::complex< float > >

class	RandNumGen< std::complex< long double > >

class	RandNumGen< unsigned int >

class	RandNumGen< unsigned long >

class	RandNumGen< unsigned long long >

class	RandNumGen< unsigned short >

class	ScalarZeroFunctionReal

class	SmearChargeDensityFunction

class	SmearChargePotentialFunction

class	Spline

class	Timer

class	Types

class	Types< char >

class	Types< double >

class	Types< float >

class	Types< int >

class	Types< long int >

class	Types< short int >

class	Types< std::complex< double > >

class	Types< std::complex< float > >

class	Types< std::string >

class	Types< unsigned int >

class	Types< unsigned long int >

class	Types< unsigned short int >

Typedefs
typedef std::logic_error	LogicError

typedef std::invalid_argument	InvalidArgument

typedef std::domain_error	DomainError

typedef std::length_error	LengthError

typedef std::out_of_range	OutOfRangeError

typedef std::runtime_error	RuntimeError

typedef std::overflow_error	OverflowError

typedef std::underflow_error	UnderflowError

typedef PointImpl< double >	Point

template<typename T >
using	ScalarSpatialFunction = Function< utils::Point, T >

using	ScalarSpatialFunctionReal = Function< utils::Point, double >

using	ScalarSpatialFunctionComplex = Function< utils::Point, std::complex< double > >

using	ScalarSpatialFunctionReal1D = Function< double, double >

Enumerations
enum class	MemorySpace { HOST , HOST_PINNED , DEVICE }

Functions
unsigned int	abs_ (unsigned int a)

int	abs_ (int a)

double	abs_ (double a)

float	abs_ (float a)

double	abs_ (std::complex< double > a)

float	abs_ (std::complex< float > a)

unsigned int	absSq (unsigned int a)

int	absSq (int a)

double	absSq (double a)

float	absSq (float a)

double	absSq (std::complex< double > a)

float	absSq (std::complex< float > a)

template<typename ValueType >
bool	absCompare (ValueType a, ValueType b)

template<typename T >
RealType< T >::Type	realPart (const T &x)

template<>
RealType< float >::Type	realPart (const float &x)

template<>
RealType< double >::Type	realPart (const double &x)

template<>
RealType< std::complex< float > >::Type	realPart (const std::complex< float > &x)

template<>
RealType< std::complex< double > >::Type	realPart (const std::complex< double > &x)

template<typename T >
RealType< T >::Type	imagPart (const T &x)

template<>
RealType< float >::Type	imagPart (const float &x)

template<>
RealType< double >::Type	imagPart (const double &x)

template<>
RealType< std::complex< float > >::Type	imagPart (const std::complex< float > &x)

template<>
RealType< std::complex< double > >::Type	imagPart (const std::complex< double > &x)

template<typename T >
T	conjugate (const T &x)

template<>
float	conjugate (const float &x)

template<>
double	conjugate (const double &x)

template<>
std::complex< float >	conjugate (const std::complex< float > &x)

template<>
std::complex< double >	conjugate (const std::complex< double > &x)

void	throwException (bool condition, std::string msg)

template<class T >
void	throwException (bool condition, std::string msg="")

template<typename ValueType , utils::MemorySpace memorySpaceDst>
MemoryStorage< ValueType, memorySpaceDst >	memoryStorageFromSTL (const std::vector< ValueType > &src)
	Create a MemoryStorage object from an input C++ STL vector. More...

template<typename ValueType , dftefe::utils::MemorySpace memorySpace>
void	swap (MemoryStorage< ValueType, memorySpace > &X, MemoryStorage< ValueType, memorySpace > &Y)

template<>
double	getRealPart (const std::complex< float > &t)

template<>
double	getRealPart (const std::complex< double > &t)

template<>
double	getImagPart (const std::complex< float > &t)

template<>
double	getImagPart (const std::complex< double > &t)

template<typename T >
double	getRealPart (const T &t)

template<typename T >
double	getImagPart (const T &t)

template<typename T >
double	getAbs (const T &t)

template<typename T >
PointImpl< T > &	operator*= (PointImpl< T > &p, T a)
	In-plance multiplication of the point by a scalar p->p*a. More...

template<typename T >
PointImpl< T >	operator* (const PointImpl< T > &p, T a)
	Multiplication by a scalar q = p*a. More...

template<typename T >
PointImpl< T >	operator* (T a, const PointImpl< T > &p)
	Multiplication by a scalar q = p*a. More...

template<typename T >
PointImpl< T > &	operator+= (PointImpl< T > &p, const PointImpl< T > &q)
	In-place addition of two pointts p-> p + q. More...

template<typename T >
PointImpl< T >	operator+ (const PointImpl< T > &v, const PointImpl< T > &u)
	Addition of two points r = p + q. More...

template<typename T >
PointImpl< T > &	operator-= (PointImpl< T > &p, const PointImpl< T > &q)
	In-place subtraction of two points p -> p - q;. More...

template<typename T >
PointImpl< T >	operator- (const PointImpl< T > &p, const PointImpl< T > &q)
	Subtraction of two points = p - q. More...

template<typename T >
std::ostream &	operator<< (std::ostream &outputStream, const PointImpl< T > &p)
	Output perator. More...

void	printCurrentMemoryUsage (const MPI_Comm &mpiComm, const std::string message)

void	printCurrentMemoryUsage (const utils::mpi::MPIComm &mpiComm, const std::string message)

Typedef Documentation

◆ DomainError

typedef std::domain_error dftefe::utils::DomainError

◆ InvalidArgument

typedef std::invalid_argument dftefe::utils::InvalidArgument

◆ LengthError

typedef std::length_error dftefe::utils::LengthError

◆ LogicError

typedef std::logic_error dftefe::utils::LogicError

◆ OutOfRangeError

typedef std::out_of_range dftefe::utils::OutOfRangeError

◆ OverflowError

typedef std::overflow_error dftefe::utils::OverflowError

◆ Point

typedef PointImpl<double> dftefe::utils::Point

◆ RuntimeError

typedef std::runtime_error dftefe::utils::RuntimeError

◆ ScalarSpatialFunction

template<typename T >

using dftefe::utils::ScalarSpatialFunction = typedef Function<utils::Point, T>

◆ ScalarSpatialFunctionComplex

using dftefe::utils::ScalarSpatialFunctionComplex = typedef Function<utils::Point, std::complex<double> >

◆ ScalarSpatialFunctionReal

using dftefe::utils::ScalarSpatialFunctionReal = typedef Function<utils::Point, double>

◆ ScalarSpatialFunctionReal1D

using dftefe::utils::ScalarSpatialFunctionReal1D = typedef Function<double, double>

◆ UnderflowError

typedef std::underflow_error dftefe::utils::UnderflowError

Enumeration Type Documentation

◆ MemorySpace

enum class dftefe::utils::MemorySpace

strong

Enumerator
HOST
HOST_PINNED
DEVICE

Function Documentation

◆ abs_() [1/6]

double dftefe::utils::abs_ ( double a )

inline

◆ abs_() [2/6]

float dftefe::utils::abs_ ( float a )

inline

◆ abs_() [3/6]

int dftefe::utils::abs_ ( int a )

inline

◆ abs_() [4/6]

double dftefe::utils::abs_ ( std::complex< double > a )

inline

◆ abs_() [5/6]

float dftefe::utils::abs_ ( std::complex< float > a )

inline

◆ abs_() [6/6]

unsigned int dftefe::utils::abs_ ( unsigned int a )

inline

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◆ absCompare()

template<typename ValueType >

bool dftefe::utils::absCompare	(	ValueType	a,
		ValueType	b
	)

inline

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◆ absSq() [1/6]

double dftefe::utils::absSq ( double a )

inline

◆ absSq() [2/6]

float dftefe::utils::absSq ( float a )

inline

◆ absSq() [3/6]

int dftefe::utils::absSq ( int a )

inline

◆ absSq() [4/6]

double dftefe::utils::absSq ( std::complex< double > a )

inline

◆ absSq() [5/6]

float dftefe::utils::absSq ( std::complex< float > a )

inline

◆ absSq() [6/6]

unsigned int dftefe::utils::absSq ( unsigned int a )

inline

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◆ conjugate() [1/5]

template<>

double dftefe::utils::conjugate ( const double & x )

inline

◆ conjugate() [2/5]

template<>

float dftefe::utils::conjugate ( const float & x )

inline

◆ conjugate() [3/5]

template<>

std::complex< double > dftefe::utils::conjugate ( const std::complex< double > & x )

inline

◆ conjugate() [4/5]

template<>

std::complex< float > dftefe::utils::conjugate ( const std::complex< float > & x )

inline

◆ conjugate() [5/5]

template<typename T >

T dftefe::utils::conjugate ( const T & x )

inline

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◆ getAbs()

template<typename T >

double dftefe::utils::getAbs ( const T & t )

◆ getImagPart() [1/3]

template<>

double dftefe::utils::getImagPart ( const std::complex< double > & t )

◆ getImagPart() [2/3]

template<>

double dftefe::utils::getImagPart ( const std::complex< float > & t )

◆ getImagPart() [3/3]

template<typename T >

double dftefe::utils::getImagPart ( const T & t )

◆ getRealPart() [1/3]

template<>

double dftefe::utils::getRealPart ( const std::complex< double > & t )

◆ getRealPart() [2/3]

template<>

double dftefe::utils::getRealPart ( const std::complex< float > & t )

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◆ getRealPart() [3/3]

template<typename T >

double dftefe::utils::getRealPart ( const T & t )

◆ imagPart() [1/5]

template<>

RealType< double >::Type dftefe::utils::imagPart ( const double & x )

inline

◆ imagPart() [2/5]

template<>

RealType< float >::Type dftefe::utils::imagPart ( const float & x )

inline

◆ imagPart() [3/5]

template<>

RealType< std::complex< double > >::Type dftefe::utils::imagPart ( const std::complex< double > & x )

inline

◆ imagPart() [4/5]

template<>

RealType< std::complex< float > >::Type dftefe::utils::imagPart ( const std::complex< float > & x )

inline

◆ imagPart() [5/5]

template<typename T >

RealType< T >::Type dftefe::utils::imagPart ( const T & x )

inline

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◆ memoryStorageFromSTL()

template<typename ValueType , utils::MemorySpace memorySpaceDst>

MemoryStorage< ValueType, memorySpaceDst > dftefe::utils::memoryStorageFromSTL ( const std::vector< ValueType > & src )

Create a MemoryStorage object from an input C++ STL vector.

Parameters

[in] src Input C++ STL vector from which the MemoryStorage object is to be created

Returns: A MemoryStorage object containing the data in the input C++ STL vector

Template Parameters

ValueType	Datatype of the underlying data in MemoryStorage as well as C++ STL vector (e.g., int, double, float, complex<double>, etc)
memorySpaceDst	MemorySpace (e.g. HOST, DEVICE, HOST_PINNED, etc) where the output MemoryStorage object should reside

◆ operator*() [1/2]

template<typename T >

PointImpl< T > dftefe::utils::operator*	(	const PointImpl< T > &	p,
		T	a
	)

inline

Multiplication by a scalar q = p*a.

Template Parameters

value type for the point (int, float, double, ...)

Parameters

[in]	p	the point to be scaled
[in]	a	the scalar value

Returns: a new point containing the scaled coordinates

◆ operator*() [2/2]

template<typename T >

PointImpl< T > dftefe::utils::operator*	(	T	a,
		const PointImpl< T > &	p
	)

inline

Multiplication by a scalar q = p*a.

Template Parameters

value type for the point (int, float, double, ...)

Parameters

[in]	a	the scalar value
[in]	p	the point to be scaled

Returns: a new point containing the scaled coordinates

◆ operator*=()

template<typename T >

PointImpl< T > & dftefe::utils::operator*=	(	PointImpl< T > &	p,
		T	a
	)

inline

In-plance multiplication of the point by a scalar p->p*a.

Template Parameters

value type for the point (int, float, double, ...)

Parameters

[in]	p	the point to be scaled
[in]	a	the scalar value

Returns: reference to updated point p.

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◆ operator+()

template<typename T >

PointImpl< T > dftefe::utils::operator+	(	const PointImpl< T > &	v,
		const PointImpl< T > &	u
	)

inline

Addition of two points r = p + q.

Template Parameters

value type for the point (int, float, double, ...)

Parameters

[in]	p	the first point
[in]	q	the second point

Returns: Object containing p + q.

Exceptions

exception if the two points have different dimensions

◆ operator+=()

template<typename T >

PointImpl< T > & dftefe::utils::operator+=	(	PointImpl< T > &	p,
		const PointImpl< T > &	q
	)

inline

In-place addition of two pointts p-> p + q.

Template Parameters

value type for the point (int, float, double, ...)

Parameters

[in]	p	the first point (will be modified)
[in]	q	the second point

Returns: Reference to updated point p.

Exceptions

exception if the two points have different dimensions

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◆ operator-()

template<typename T >

PointImpl< T > dftefe::utils::operator-	(	const PointImpl< T > &	p,
		const PointImpl< T > &	q
	)

inline

Subtraction of two points = p - q.

Template Parameters

value type for the point (int, float, double, ...)

Parameters

[in]	p	the first point
[in]	q	the second point

Returns: Object containing p - q.

Exceptions

exception if the two points have different dimensions

◆ operator-=()

template<typename T >

PointImpl< T > & dftefe::utils::operator-=	(	PointImpl< T > &	p,
		const PointImpl< T > &	q
	)

inline

In-place subtraction of two points p -> p - q;.

Template Parameters

value type for the point (int, float, double, ...)

Parameters

[in]	p	the first point
[in]	q	the second point

Returns: reference to updated point p.

Exceptions

exception if the two points have different dimensions

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◆ operator<<()

template<typename T >

std::ostream & dftefe::utils::operator<<	(	std::ostream &	outputStream,
		const PointImpl< T > &	p
	)

inline

Output perator.

Template Parameters

value type for the point (int, float, double, ...)

Parameters

outputStream	Output stream to use for output.
p	PointImpl object.

Returns: Updated output stream.

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◆ printCurrentMemoryUsage() [1/2]

void dftefe::utils::printCurrentMemoryUsage	(	const MPI_Comm &	mpiComm,
		const std::string	message
	)

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◆ printCurrentMemoryUsage() [2/2]

void dftefe::utils::printCurrentMemoryUsage	(	const utils::mpi::MPIComm &	mpiComm,
		const std::string	message
	)

◆ realPart() [1/5]

template<>

RealType< double >::Type dftefe::utils::realPart ( const double & x )

inline

◆ realPart() [2/5]

template<>

RealType< float >::Type dftefe::utils::realPart ( const float & x )

inline

◆ realPart() [3/5]

template<>

RealType< std::complex< double > >::Type dftefe::utils::realPart ( const std::complex< double > & x )

inline

◆ realPart() [4/5]

template<>

RealType< std::complex< float > >::Type dftefe::utils::realPart ( const std::complex< float > & x )

inline

◆ realPart() [5/5]

template<typename T >

RealType< T >::Type dftefe::utils::realPart ( const T & x )

inline

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◆ swap()

template<typename ValueType , dftefe::utils::MemorySpace memorySpace>

void dftefe::utils::swap	(	MemoryStorage< ValueType, memorySpace > &	X,
		MemoryStorage< ValueType, memorySpace > &	Y
	)

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◆ throwException() [1/2]

void dftefe::utils::throwException	(	bool	condition,
		std::string	msg
	)

◆ throwException() [2/2]

template<class T >

void dftefe::utils::throwException	(	bool	condition,
		std::string	msg = `""`
	)

Namespaces

Classes

Typedefs

Enumerations

Functions

Typedef Documentation

◆ DomainError

◆ InvalidArgument

◆ LengthError

◆ LogicError

◆ OutOfRangeError

◆ OverflowError

◆ Point

◆ RuntimeError

◆ ScalarSpatialFunction

◆ ScalarSpatialFunctionComplex

◆ ScalarSpatialFunctionReal

◆ ScalarSpatialFunctionReal1D

◆ UnderflowError

Enumeration Type Documentation

◆ MemorySpace

Function Documentation

◆ abs_() [1/6]

◆ abs_() [2/6]

◆ abs_() [3/6]

◆ abs_() [4/6]

◆ abs_() [5/6]

◆ abs_() [6/6]

◆ absCompare()

◆ absSq() [1/6]

◆ absSq() [2/6]

◆ absSq() [3/6]

◆ absSq() [4/6]

◆ absSq() [5/6]

◆ absSq() [6/6]

◆ conjugate() [1/5]

◆ conjugate() [2/5]

◆ conjugate() [3/5]

◆ conjugate() [4/5]

◆ conjugate() [5/5]

◆ getAbs()

◆ getImagPart() [1/3]

◆ getImagPart() [2/3]

◆ getImagPart() [3/3]

◆ getRealPart() [1/3]

◆ getRealPart() [2/3]

◆ getRealPart() [3/3]

◆ imagPart() [1/5]

◆ imagPart() [2/5]

◆ imagPart() [3/5]

◆ imagPart() [4/5]

◆ imagPart() [5/5]

◆ memoryStorageFromSTL()

◆ operator*() [1/2]

◆ operator*() [2/2]

◆ operator*=()

◆ operator+()

◆ operator+=()

◆ operator-()

◆ operator-=()

◆ operator<<()

◆ printCurrentMemoryUsage() [1/2]

◆ printCurrentMemoryUsage() [2/2]

◆ realPart() [1/5]

◆ realPart() [2/5]

◆ realPart() [3/5]

◆ realPart() [4/5]

◆ realPart() [5/5]

◆ swap()

◆ throwException() [1/2]

◆ throwException() [2/2]