mrmd::action::ThermodynamicForce Class Reference

#include <action/ThermodynamicForce.hpp>

Public Member Functions
auto	getForce () const
auto	getForce (const idx_t &typeId) const
void	setForce (const MultiView &forces) const
auto	getDensityProfile () const
auto	getDensityProfile (const idx_t &typeId) const
const auto &	getNumberOfDensityProfileSamples () const
void	sample (data::Atoms &atoms)
void	update (const real_t &smoothingSigma, const real_t &smoothingIntensity)
void	apply (const data::Atoms &atoms) const
template<OnePositionPredicate Pred>
void	apply_if (const data::Atoms &atoms, const Pred &pred) const
template<OneCoordinatePredicate Pred>
void	update_if (const real_t &smoothingSigma, const real_t &smoothingIntensity, const Pred &pred)
template<OnePositionPredicate Pred>
void	applyInterpolated_if (const data::Atoms &atoms, const Pred &pred) const
std::vector< real_t >	getMuLeft () const
std::vector< real_t >	getMuRight () const
	ThermodynamicForce (const std::vector< real_t > &targetDensity, const data::Subdomain &subdomain, const real_t &requestedDensityBinWidth, const std::vector< real_t > &thermodynamicForceModulation, const bool enforceSymmetry=false, const bool usePeriodicity=false)
	ThermodynamicForce (const real_t targetDensity, const data::Subdomain &subdomain, const real_t &requestedDensityBinWidth, const real_t thermodynamicForceModulation, const bool enforceSymmetry=false, const bool usePeriodicity=false)

Constructor & Destructor Documentation

ThermodynamicForce() [1/2]

mrmd::action::ThermodynamicForce::ThermodynamicForce	(	const std::vector< real_t > &	targetDensity,
		const data::Subdomain &	subdomain,
		const real_t &	requestedDensityBinWidth,
		const std::vector< real_t > &	thermodynamicForceModulation,
		const bool	enforceSymmetry = false,
		const bool	usePeriodicity = false
	)

ThermodynamicForce() [2/2]

mrmd::action::ThermodynamicForce::ThermodynamicForce	(	const real_t	targetDensity,
		const data::Subdomain &	subdomain,
		const real_t &	requestedDensityBinWidth,
		const real_t	thermodynamicForceModulation,
		const bool	enforceSymmetry = false,
		const bool	usePeriodicity = false
	)

Member Function Documentation

apply()

void mrmd::action::ThermodynamicForce::apply

(

const data::Atoms &

atoms

)

const

apply_if()

template<OnePositionPredicate Pred>

void mrmd::action::ThermodynamicForce::apply_if	(	const data::Atoms &	atoms,
		const Pred &	pred
	)		const

applyInterpolated_if()

template<OnePositionPredicate Pred>

void mrmd::action::ThermodynamicForce::applyInterpolated_if	(	const data::Atoms &	atoms,
		const Pred &	pred
	)		const

getDensityProfile() [1/2]

auto mrmd::action::ThermodynamicForce::getDensityProfile ( ) const

inline

getDensityProfile() [2/2]

auto mrmd::action::ThermodynamicForce::getDensityProfile ( const idx_t &  typeId ) const

inline

getForce() [1/2]

auto mrmd::action::ThermodynamicForce::getForce ( ) const

inline

getForce() [2/2]

auto mrmd::action::ThermodynamicForce::getForce ( const idx_t &  typeId ) const

inline

getMuLeft()

std::vector< real_t > mrmd::action::ThermodynamicForce::getMuLeft

(

)

const

getMuRight()

std::vector< real_t > mrmd::action::ThermodynamicForce::getMuRight

(

)

const

getNumberOfDensityProfileSamples()

const auto & mrmd::action::ThermodynamicForce::getNumberOfDensityProfileSamples ( ) const

inline

sample()

void mrmd::action::ThermodynamicForce::sample

(

data::Atoms &

atoms

)

setForce()

void mrmd::action::ThermodynamicForce::setForce ( const MultiView &  forces ) const

inline

update()

void mrmd::action::ThermodynamicForce::update	(	const real_t &	smoothingSigma,
		const real_t &	smoothingIntensity
	)

update_if()

template<OneCoordinatePredicate Pred>

void mrmd::action::ThermodynamicForce::update_if	(	const real_t &	smoothingSigma,
		const real_t &	smoothingIntensity,
		const Pred &	pred
	)

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

• mrmd/action/ThermodynamicForce.hpp
• mrmd/action/ThermodynamicForce.cpp