PLMD::GREX Class Reference

#include <GREX.h>

Inheritance diagram for PLMD::GREX:

Public Member Functions
	GREX (PlumedMain &)
	~GREX ()
void	calculate ()
void	cmd (const char *key, const TypesafePtr &val=nullptr)
	This is needed to avoid ambiguities. More...
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. More...
void	cmd (std::string_view key, const TypesafePtr &val, const std::size_t *shape)
void	cmd (std::string_view key, const TypesafePtr &val, std::size_t nelem, const std::size_t *shape=nullptr)
void	cmd (std::string_view key, const TypesafePtr &val=nullptr) override
	This is the preferred method as it avoid allocations of temporaries. More...
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() [1/5]

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

inlineinherited

This is needed to avoid ambiguities.

cmd() [2/5]

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

cmd() [3/5]

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

inlineinherited

cmd() [4/5]

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

inlineinherited

cmd() [5/5]

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

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.

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