PLMD::GREX Class Reference

#include <GREX.h>

Inheritance diagram for PLMD::GREX:

Public Member Functions
	GREX (PlumedMain &)
	~GREX ()
void	calculate ()
void	cmd (const std::string &key, const TypesafePtr &val=nullptr) override
void	cmd (const std::string &key, const TypesafePtr &val, const std::size_t *shape)
void	cmd (const std::string &key, const TypesafePtr &val, std::size_t nelem, const std::size_t *shape=nullptr)
void	savePositions ()

Private Attributes
std::vector< double >	allDeltaBias
Atoms &	atoms
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() [1/3]

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

overridevirtual

Implements PLMD::WithCmd.

cmd() [2/3]

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

inlineinherited

cmd() [3/3]

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

inlineinherited

savePositions()

void PLMD::GREX::savePositions

(

)

Member Data Documentation

allDeltaBias

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

private

atoms

Atoms& PLMD::GREX::atoms

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