mrmd::util Namespace Reference

Classes
class	ExponentialMovingAverage
	Calculates the exponential moving average (EMA) for values added with append. More...
class	IsInSymmetricSlab
struct	Random

Functions
KOKKOS_INLINE_FUNCTION constexpr real_t	degToRad (const real_t &grd)
	converts degree to radians
KOKKOS_INLINE_FUNCTION constexpr real_t	radToDeg (const real_t &rad)
	converts radians to degree
void	dumpView (const std::string &filename, const ScalarView &view)
void	dumpView (const std::string &filename, const MultiView &view)
std::string	getEnvironmentVariable (const std::string &variable)
ExponentialMovingAverage &	operator<< (ExponentialMovingAverage &lhs, const real_t &rhs)
void	updateInterpolate (const data::MultiHistogram &target, const data::MultiHistogram &input)
	Linear interpolation of data contained in input MultiHistogram onto grid of target histogram, adding the interpolated data to the data already contained in target.
KOKKOS_INLINE_FUNCTION real_t	lerp (const real_t &left, const real_t &right, const real_t &factor)
	Linear interpolation between two values.
template<class T , class... P>
void	grow (Kokkos::View< T, P... > &view, idx_t size, real_t safetyMargin=1.1_r)
KOKKOS_INLINE_FUNCTION real_t	dot3 (real_t const *const a, real_t const *const b)
KOKKOS_INLINE_FUNCTION real_t	sqr (const real_t &sqr)
KOKKOS_INLINE_FUNCTION real_t	powInt (const real_t &x, const idx_t n)
KOKKOS_INLINE_FUNCTION real_t	approxErfc (const real_t &x, real_t &expX2)
	"Handbook of Mathematical Functions with Formulas, Graphs, and Mathematical Table" Milton Abramowitz (1970) "Rational Approximations", equation 7.1.27:
KOKKOS_INLINE_FUNCTION real_t	approxErfc (const real_t &x)
template<typename HEAD >
void	printTable (HEAD head)
template<typename HEAD , typename... TAIL>
void	printTable (HEAD head, TAIL... tail)
template<typename HEAD >
void	printTableSep (HEAD)
template<typename HEAD , typename... TAIL>
void	printTableSep (HEAD, TAIL... tail)
data::Atoms	fillDomainWithAtoms (const data::Subdomain &subdomain, const idx_t &numAtoms, const real_t &maxVelocity, const real_t &inputMass)

Function Documentation

approxErfc() [1/2]

KOKKOS_INLINE_FUNCTION real_t mrmd::util::approxErfc

(

const real_t &

x

)

approxErfc() [2/2]

KOKKOS_INLINE_FUNCTION real_t mrmd::util::approxErfc	(	const real_t &	x,
		real_t &	expX2
	)

"Handbook of Mathematical Functions with Formulas, Graphs, and Mathematical Table" Milton Abramowitz (1970) "Rational Approximations", equation 7.1.27:

accuracy: 1.5x10^-7

Parameters

x	evaluation point
expX2	intermediate value std::exp(-x * x)

degToRad()

KOKKOS_INLINE_FUNCTION constexpr real_t mrmd::util::degToRad ( const real_t &  grd )

constexpr

converts degree to radians

dot3()

KOKKOS_INLINE_FUNCTION real_t mrmd::util::dot3	(	real_t const *const	a,
		real_t const *const	b
	)

dumpView() [1/2]

void mrmd::util::dumpView	(	const std::string &	filename,
		const MultiView &	view
	)

dumpView() [2/2]

void mrmd::util::dumpView	(	const std::string &	filename,
		const ScalarView &	view
	)

fillDomainWithAtoms()

data::Atoms mrmd::util::fillDomainWithAtoms	(	const data::Subdomain &	subdomain,
		const idx_t &	numAtoms,
		const real_t &	maxVelocity,
		const real_t &	inputMass
	)

getEnvironmentVariable()

std::string mrmd::util::getEnvironmentVariable ( const std::string &  variable )

inline

grow()

template<class T , class... P>

void mrmd::util::grow	(	Kokkos::View< T, P... > &	view,
		idx_t	size,
		real_t	safetyMargin = 1.1_r
	)

lerp()

KOKKOS_INLINE_FUNCTION real_t mrmd::util::lerp	(	const real_t &	left,
		const real_t &	right,
		const real_t &	factor
	)

Linear interpolation between two values.

Parameters

left	left value
right	right value
factor	interpolation factor in [0, 1]

Returns

interpolated value

operator<<()

ExponentialMovingAverage & mrmd::util::operator<< ( ExponentialMovingAverage &  lhs, const real_t &  rhs  )

inline

powInt()

KOKKOS_INLINE_FUNCTION real_t mrmd::util::powInt	(	const real_t &	x,
		const idx_t	n
	)

printTable() [1/2]

template<typename HEAD >

void mrmd::util::printTable

(

HEAD

head

)

printTable() [2/2]

template<typename HEAD , typename... TAIL>

void mrmd::util::printTable	(	HEAD	head,
		TAIL...	tail
	)

printTableSep() [1/2]

template<typename HEAD >

void mrmd::util::printTableSep

(

HEAD

)

printTableSep() [2/2]

template<typename HEAD , typename... TAIL>

void mrmd::util::printTableSep	(	HEAD	,
		TAIL...	tail
	)

radToDeg()

KOKKOS_INLINE_FUNCTION constexpr real_t mrmd::util::radToDeg ( const real_t &  rad )

constexpr

converts radians to degree

sqr()

KOKKOS_INLINE_FUNCTION real_t mrmd::util::sqr

(

const real_t &

sqr

)

updateInterpolate()

void mrmd::util::updateInterpolate	(	const data::MultiHistogram &	target,
		const data::MultiHistogram &	input
	)

Linear interpolation of data contained in input MultiHistogram onto grid of target histogram, adding the interpolated data to the data already contained in target.

Data for target grid points outside of the grid range of the input MultiHistogram is not updated.

Parameters

input	MultiHistogram containing data to interpolate on coarse grid.
target	MultiHistogram defining the grid to interpolate onto and containing the data to be updated by interpolating the data from input.