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PLMD::ParallelActionsInput Struct Reference

#include <ParallelTaskManager.h>

Public Member Functions

void removeFromACCDevice () const
 
void setupArguments (const ArgumentsBookkeeping &ab)
 Setup the arguments.
 
unsigned sizeOfFakeVals () const
 
void toACCDevice () const
 

Static Public Member Functions

static ParallelActionsInput create (const Pbc &box)
 

Public Attributes

const std::size_t * argstarts {nullptr}
 
std::size_t argstarts_size {0}
 
const std::size_t * bookeeping {nullptr}
 
std::size_t bookeeping_size {0}
 
const std::size_t * booksizes {nullptr}
 
std::size_t booksizes_size {0}
 
const std::size_t * bookstarts {nullptr}
 
std::size_t bookstarts_size {0}
 
unsigned dataSize {0}
 This holds all the input data that is required to calculate all values for all tasks.
 
double * inputdata {nullptr}
 
std::size_t nargs {0}
 Bookeeping stuff for arguments.
 
const std::size_t * ncols {nullptr}
 
std::size_t ncols_size {0}
 
std::size_t ncomponents {0}
 The number of components the underlying action is computing.
 
std::size_t nderivatives_per_scalar {0}
 Number of derivatives for each scalar being calculated.
 
unsigned nforcescalars {0}
 The number of force scalars for each task.
 
bool noderiv {false}
 Do we need to calculate the derivatives.
 
unsigned nscalars {0}
 The number of scalars we are calculating for each task.
 
const Pbcpbc
 Periodic boundary conditions.
 
const std::size_t * ranks {nullptr}
 
std::size_t ranks_size {0}
 
const std::size_t * shapedata {nullptr}
 
std::size_t shapedata_size {0}
 
const std::size_t * shapestarts {nullptr}
 
std::size_t shapestarts_size {0}
 
unsigned threadunsafe_forces_start {0}
 The start of the thread unsafe forces.
 

Member Function Documentation

◆ create()

static ParallelActionsInput PLMD::ParallelActionsInput::create ( const Pbc & box)
inlinestatic

◆ removeFromACCDevice()

void PLMD::ParallelActionsInput::removeFromACCDevice ( ) const
inline

◆ setupArguments()

void PLMD::ParallelActionsInput::setupArguments ( const ArgumentsBookkeeping & ab)
inline

Setup the arguments.

◆ sizeOfFakeVals()

unsigned PLMD::ParallelActionsInput::sizeOfFakeVals ( ) const
inline

◆ toACCDevice()

void PLMD::ParallelActionsInput::toACCDevice ( ) const
inline

Member Data Documentation

◆ argstarts

const std::size_t* PLMD::ParallelActionsInput::argstarts {nullptr}

◆ argstarts_size

std::size_t PLMD::ParallelActionsInput::argstarts_size {0}

◆ bookeeping

const std::size_t* PLMD::ParallelActionsInput::bookeeping {nullptr}

◆ bookeeping_size

std::size_t PLMD::ParallelActionsInput::bookeeping_size {0}

◆ booksizes

const std::size_t* PLMD::ParallelActionsInput::booksizes {nullptr}

◆ booksizes_size

std::size_t PLMD::ParallelActionsInput::booksizes_size {0}

◆ bookstarts

const std::size_t* PLMD::ParallelActionsInput::bookstarts {nullptr}

◆ bookstarts_size

std::size_t PLMD::ParallelActionsInput::bookstarts_size {0}

◆ dataSize

unsigned PLMD::ParallelActionsInput::dataSize {0}

This holds all the input data that is required to calculate all values for all tasks.

◆ inputdata

double* PLMD::ParallelActionsInput::inputdata {nullptr}

◆ nargs

std::size_t PLMD::ParallelActionsInput::nargs {0}

Bookeeping stuff for arguments.

◆ ncols

const std::size_t* PLMD::ParallelActionsInput::ncols {nullptr}

◆ ncols_size

std::size_t PLMD::ParallelActionsInput::ncols_size {0}

◆ ncomponents

std::size_t PLMD::ParallelActionsInput::ncomponents {0}

The number of components the underlying action is computing.

◆ nderivatives_per_scalar

std::size_t PLMD::ParallelActionsInput::nderivatives_per_scalar {0}

Number of derivatives for each scalar being calculated.

◆ nforcescalars

unsigned PLMD::ParallelActionsInput::nforcescalars {0}

The number of force scalars for each task.

◆ noderiv

bool PLMD::ParallelActionsInput::noderiv {false}

Do we need to calculate the derivatives.

◆ nscalars

unsigned PLMD::ParallelActionsInput::nscalars {0}

The number of scalars we are calculating for each task.

◆ pbc

const Pbc* PLMD::ParallelActionsInput::pbc

Periodic boundary conditions.

◆ ranks

const std::size_t* PLMD::ParallelActionsInput::ranks {nullptr}

◆ ranks_size

std::size_t PLMD::ParallelActionsInput::ranks_size {0}

◆ shapedata

const std::size_t* PLMD::ParallelActionsInput::shapedata {nullptr}

◆ shapedata_size

std::size_t PLMD::ParallelActionsInput::shapedata_size {0}

◆ shapestarts

const std::size_t* PLMD::ParallelActionsInput::shapestarts {nullptr}

◆ shapestarts_size

std::size_t PLMD::ParallelActionsInput::shapestarts_size {0}

◆ threadunsafe_forces_start

unsigned PLMD::ParallelActionsInput::threadunsafe_forces_start {0}

The start of the thread unsafe forces.


The documentation for this struct was generated from the following file: