PLMD::GREX Class Reference

#include <GREX.h>

Inheritance diagram for PLMD::GREX:

Public Member Functions
	GREX (PlumedMain &)
	~GREX ()
void	calculate ()
void	cmd (std::string_view key, const TypesafePtr &val) override
	This is the preferred method as it avoid allocations of temporaries.
void	cmd (const char *key, const TypesafePtr &val=nullptr)
	This is needed to avoid ambiguities.
virtual void	cmd (const std::string &key, const TypesafePtr &val=nullptr)
	This is the legacy method we used in older plumed versions, so it is still possible.
void	cmd (std::string_view key, const TypesafePtr &val, const std::size_t *shape)
template<typename I, typename std::enable_if< std::is_integral< I >::value, int >::type = 0>
void	cmd (std::string_view key, const TypesafePtr &val, I nelem, const std::size_t *shape=nullptr)
void	cmd (std::string_view key, const TypesafePtr &val, std::initializer_list< SizeLike > shape)
void	savePositions ()

Private Attributes
std::vector< double >	allDeltaBias
std::string	buffer
double	foreignDeltaBias
bool	initialized
Communicator &	intercomm =*intercomm_fwd
ForwardDecl< Communicator >	intercomm_fwd
Communicator &	intracomm =*intracomm_fwd
ForwardDecl< Communicator >	intracomm_fwd
double	localDeltaBias
double	localUNow
double	localUSwap
int	myreplica
int	partner
PlumedMain &	plumedMain

Constructor & Destructor Documentation

GREX()

PLMD::GREX::GREX ( PlumedMain & p )

explicit

~GREX()

PLMD::GREX::~GREX

(

)

Member Function Documentation

calculate()

void PLMD::GREX::calculate

(

)

cmd() [1/6]

void PLMD::GREX::cmd ( std::string_view key, const TypesafePtr & val )

overridevirtual

This is the preferred method as it avoid allocations of temporaries.

If this is not overridded, it will call the legacy method.

Reimplemented from PLMD::WithCmd.

cmd() [2/6]

void PLMD::WithCmd::cmd ( const char * key, const TypesafePtr & val = nullptr )

inlineinherited

This is needed to avoid ambiguities.

cmd() [3/6]

virtual void PLMD::WithCmd::cmd ( const std::string & key, const TypesafePtr & val = nullptr )

inlinevirtualinherited

This is the legacy method we used in older plumed versions, so it is still possible.

If this is not overridden, it will call the preferred method

Reimplemented in PLMD::PlumedHandle, and PLMD::PlumedMain.

cmd() [4/6]

void PLMD::WithCmd::cmd ( std::string_view key, const TypesafePtr & val, const std::size_t * shape )

inlineinherited

cmd() [5/6]

template<typename I, typename std::enable_if< std::is_integral< I >::value, int >::type = 0>

void PLMD::WithCmd::cmd ( std::string_view key, const TypesafePtr & val, I nelem, const std::size_t * shape = nullptr )

inlineinherited

cmd() [6/6]

void PLMD::WithCmd::cmd ( std::string_view key, const TypesafePtr & val, std::initializer_list< SizeLike > shape )

inlineinherited

savePositions()

void PLMD::GREX::savePositions

(

)

Member Data Documentation

allDeltaBias

std::vector<double> PLMD::GREX::allDeltaBias

private

buffer

std::string PLMD::GREX::buffer

private

foreignDeltaBias

double PLMD::GREX::foreignDeltaBias

private

initialized

bool PLMD::GREX::initialized

private

intercomm

Communicator& PLMD::GREX::intercomm =*intercomm_fwd

private

intercomm_fwd

ForwardDecl<Communicator> PLMD::GREX::intercomm_fwd

private

intracomm

Communicator& PLMD::GREX::intracomm =*intracomm_fwd

private

intracomm_fwd

ForwardDecl<Communicator> PLMD::GREX::intracomm_fwd

private

localDeltaBias

double PLMD::GREX::localDeltaBias

private

localUNow

double PLMD::GREX::localUNow

private

localUSwap

double PLMD::GREX::localUSwap

private

myreplica

int PLMD::GREX::myreplica

private

partner

int PLMD::GREX::partner

private

plumedMain

PlumedMain& PLMD::GREX::plumedMain

private

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

• core/GREX.h
• core/GREX.cpp