PLMD::volumes::VolumeCavity Class Reference

Public Member Functions
	VolumeCavity ()
VolumeCavity &	operator= (const VolumeCavity &m)
void	parseInput (ActionVolume< VolumeCavity > *action)
void	setupRegions (ActionVolume< VolumeCavity > *action, const Pbc &pbc, const std::vector< Vector > &positions)

Static Public Member Functions
static void	calculateNumberInside (const VolumeInput &input, const VolumeCavity &actioninput, VolumeOutput &output)
static void	parseAtoms (ActionVolume< VolumeCavity > *action, std::vector< AtomNumber > &atoms)
static void	registerKeywords (Keywords &keys)

Public Attributes
Vector	bi
Vector	cross
std::vector< Tensor >	dbi
std::vector< Tensor >	dcross
std::vector< Vector >	dlbi
std::vector< Vector >	dlcross
std::vector< Vector >	dlperp
std::vector< Tensor >	dperp
double	jacob_det
HistogramBead::KernelType	kerneltype {HistogramBead::KernelType::gaussian}
double	len_bi
double	len_cross
double	len_perp
Vector	perp
double	sigma

Constructor & Destructor Documentation

VolumeCavity()

PLMD::volumes::VolumeCavity::VolumeCavity ( )

inline

Member Function Documentation

calculateNumberInside()

void PLMD::volumes::VolumeCavity::calculateNumberInside ( const VolumeInput & input, const VolumeCavity & actioninput, VolumeOutput & output )

static

operator=()

VolumeCavity & PLMD::volumes::VolumeCavity::operator= ( const VolumeCavity & m )

inline

parseAtoms()

void PLMD::volumes::VolumeCavity::parseAtoms ( ActionVolume< VolumeCavity > * action, std::vector< AtomNumber > & atoms )

static

parseInput()

void PLMD::volumes::VolumeCavity::parseInput

(

ActionVolume< VolumeCavity > *

action

)

registerKeywords()

void PLMD::volumes::VolumeCavity::registerKeywords ( Keywords & keys )

static

setupRegions()

void PLMD::volumes::VolumeCavity::setupRegions	(	ActionVolume< VolumeCavity > *	action,
		const Pbc &	pbc,
		const std::vector< Vector > &	positions )

Member Data Documentation

bi

Vector PLMD::volumes::VolumeCavity::bi

cross

Vector PLMD::volumes::VolumeCavity::cross

dbi

std::vector<Tensor> PLMD::volumes::VolumeCavity::dbi

dcross

std::vector<Tensor> PLMD::volumes::VolumeCavity::dcross

dlbi

std::vector<Vector> PLMD::volumes::VolumeCavity::dlbi

dlcross

std::vector<Vector> PLMD::volumes::VolumeCavity::dlcross

dlperp

std::vector<Vector> PLMD::volumes::VolumeCavity::dlperp

dperp

std::vector<Tensor> PLMD::volumes::VolumeCavity::dperp

jacob_det

double PLMD::volumes::VolumeCavity::jacob_det

kerneltype

HistogramBead::KernelType PLMD::volumes::VolumeCavity::kerneltype {HistogramBead::KernelType::gaussian}

len_bi

double PLMD::volumes::VolumeCavity::len_bi

len_cross

double PLMD::volumes::VolumeCavity::len_cross

len_perp

double PLMD::volumes::VolumeCavity::len_perp

perp

Vector PLMD::volumes::VolumeCavity::perp

sigma

double PLMD::volumes::VolumeCavity::sigma

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

• volumes/VolumeCavity.cpp