PLMD::GREX Class Reference

#include <GREX.h>

Inheritance diagram for PLMD::GREX:

Public Member Functions
	GREX (PlumedMain &)
	~GREX ()
void	cmd (const std::string &key, void *val=NULL)
	This has to be implemented in daughter classes. More...
void	calculate ()
void	savePositions ()
void	cmd (const std::string &key, const void *val)
	Const val version, which indeed just overrides the const and call the virtual method. More...

Private Attributes
bool	initialized
Communicator &	intracomm
Communicator &	intercomm
PlumedMain &	plumedMain
Atoms &	atoms
int	partner
double	localDeltaBias
double	foreignDeltaBias
double	localUNow
double	localUSwap
std::vector< double >	allDeltaBias
std::string	buffer
int	myreplica

Detailed Description

Definition at line 35 of file GREX.h.

Constructor & Destructor Documentation

PLMD::GREX::GREX

(

PlumedMain &

p

)

Definition at line 32 of file GREX.cpp.

PLMD::GREX::~GREX

(

)

Definition at line 48 of file GREX.cpp.

Member Function Documentation

void PLMD::GREX::calculate

(

)

Definition at line 162 of file GREX.cpp.

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

inlineinherited

Const val version, which indeed just overrides the const and call the virtual method.

Definition at line 44 of file WithCmd.h.

void PLMD::GREX::cmd ( const std::string &  key, void *  val = NULL  )

virtual

This has to be implemented in daughter classes.

Implements PLMD::WithCmd.

Definition at line 57 of file GREX.cpp.

void PLMD::GREX::savePositions

(

)

Definition at line 152 of file GREX.cpp.

Member Data Documentation

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

private

Definition at line 48 of file GREX.h.

Atoms& PLMD::GREX::atoms

private

Definition at line 42 of file GREX.h.

std::string PLMD::GREX::buffer

private

Definition at line 49 of file GREX.h.

double PLMD::GREX::foreignDeltaBias

private

Definition at line 45 of file GREX.h.

bool PLMD::GREX::initialized

private

Definition at line 38 of file GREX.h.

Communicator& PLMD::GREX::intercomm

private

Definition at line 40 of file GREX.h.

Communicator& PLMD::GREX::intracomm

private

Definition at line 39 of file GREX.h.

double PLMD::GREX::localDeltaBias

private

Definition at line 44 of file GREX.h.

double PLMD::GREX::localUNow

private

Definition at line 46 of file GREX.h.

double PLMD::GREX::localUSwap

private

Definition at line 47 of file GREX.h.

int PLMD::GREX::myreplica

private

Definition at line 50 of file GREX.h.

int PLMD::GREX::partner

private

Definition at line 43 of file GREX.h.

PlumedMain& PLMD::GREX::plumedMain

private

Definition at line 41 of file GREX.h.

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

• core/GREX.h
• core/GREX.cpp