Public Member Functions | Private Attributes | List of all members
PLMD::GREX Class Reference

#include <GREX.h>

Inheritance diagram for PLMD::GREX:
Inheritance graph
[legend]

Public Member Functions

 GREX (PlumedMain &)
 
 ~GREX ()
 
void calculate ()
 
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 cmd (const std::string &key, const TypesafePtr &val=nullptr) override
 
void savePositions ()
 

Private Attributes

std::vector< double > allDeltaBias
 
Atomsatoms
 
std::string buffer
 
double foreignDeltaBias
 
bool initialized
 
Communicatorintercomm =*intercomm_fwd
 
ForwardDecl< Communicatorintercomm_fwd
 
Communicatorintracomm =*intracomm_fwd
 
ForwardDecl< Communicatorintracomm_fwd
 
double localDeltaBias
 
double localUNow
 
double localUSwap
 
int myreplica
 
int partner
 
PlumedMainplumedMain
 

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

◆ cmd() [2/3]

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

◆ cmd() [3/3]

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

Implements PLMD::WithCmd.

◆ 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

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