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PLMD::vesselbase::Min Class Reference
Inheritance diagram for PLMD::vesselbase::Min:
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Public Member Functions

 Min (const VesselOptions &da)
 
std::string function_description ()
 The rest of the description of what we are calculating. More...
 
bool calculate ()
 Calculate the part of the vessel that is done in the loop. More...
 
void finish ()
 Complete the calculation once the loop is finished. More...
 
virtual void resize ()
 This does the resizing of the buffer. More...
 
bool applyForce (std::vector< double > &forces)
 This applies all the forces. More...
 
std::string description ()
 The description for the log. More...
 
std::string getName () const
 Return the name. More...
 
std::string getLabel () const
 Return the label. More...
 
void checkRead ()
 Check that readin was fine. More...
 
void zero ()
 Set all the buffer elements to zero. More...
 
void addToBufferElement (const unsigned &i, const double &val)
 Add something to the ith element in the buffer. More...
 
virtual void prepare ()
 Do something before the loop. More...
 

Static Public Member Functions

static void registerKeywords (Keywords &keys)
 
static void reserveKeyword (Keywords &keys)
 
static std::string transformName (const std::string &name)
 Convert the name to the label of the component. More...
 

Public Attributes

Loglog
 Reference to the log on which to output details. More...
 

Protected Member Functions

bool addValueUsingTolerance (const unsigned &jval, const double &val)
 Add some value to the accumulator if it is greater than tolerance. More...
 
void addValueIgnoringTolerance (const unsigned &jval, const double &val)
 Add some value to the accumulator and ignore the tolerance. More...
 
void setOutputValue (const double &val)
 Set the final value. More...
 
double getFinalValue (const unsigned &j)
 Get the nth value in the distribution. More...
 
void mergeFinalDerivatives (const std::vector< double > &df)
 This does a combination of the product and chain rules. More...
 
void setNumberOfDerivatives (const unsigned &nder)
 Resize the vector containing the derivatives. More...
 
void addDerivativeToFinalValue (const unsigned &j, const double &der)
 Return a pointer to the final value. More...
 
int getNumericalLabel () const
 Return the numerical label. More...
 
void error (const std::string &errmsg)
 Report an error. More...
 
template<class T >
void parse (const std::string &key, T &t)
 Parse something from the input. More...
 
template<class T >
void parseVector (const std::string &key, std::vector< T > &t)
 Parse one keyword as std::vector. More...
 
void parseFlag (const std::string &key, bool &t)
 Parse one keyword as boolean flag. More...
 
std::string getAllInput ()
 This returns the whole input line (it is used for less_than/more_than/between) More...
 
ActionWithVesselgetAction ()
 Return a pointer to the action we are working in. More...
 
double getTolerance () const
 Return the value of the tolerance. More...
 
double getNLTolerance () const
 Return the value of the neighbor list tolerance. More...
 
void resizeBuffer (const unsigned &n)
 Set the size of the data buffer. More...
 
void setBufferElement (const unsigned &i, const double &val)
 Set the value of the ith element in the buffer. More...
 
double getBufferElement (const unsigned &i) const
 Get the value in the ith element of the buffer. More...
 

Protected Attributes

bool diffweight
 Are the derivatives differentiable. More...
 
Communicatorcomm
 A copy of the communicator. More...
 

Private Attributes

std::vector< double > df
 
double beta
 

Constructor & Destructor Documentation

PLMD::vesselbase::Min::Min ( const VesselOptions da)

Member Function Documentation

void PLMD::vesselbase::FunctionVessel::addDerivativeToFinalValue ( const unsigned &  j,
const double &  der 
)
inlineprotectedinherited

Return a pointer to the final value.

void PLMD::vesselbase::Vessel::addToBufferElement ( const unsigned &  i,
const double &  val 
)
inlineinherited

Add something to the ith element in the buffer.

void PLMD::vesselbase::FunctionVessel::addValueIgnoringTolerance ( const unsigned &  jval,
const double &  val 
)
inlineprotectedinherited

Add some value to the accumulator and ignore the tolerance.

bool PLMD::vesselbase::FunctionVessel::addValueUsingTolerance ( const unsigned &  jval,
const double &  val 
)
inlineprotectedinherited

Add some value to the accumulator if it is greater than tolerance.

bool PLMD::vesselbase::FunctionVessel::applyForce ( std::vector< double > &  forces)
virtualinherited

This applies all the forces.

Implements PLMD::vesselbase::Vessel.

bool PLMD::vesselbase::Min::calculate ( )
virtual

Calculate the part of the vessel that is done in the loop.

Implements PLMD::vesselbase::Vessel.

void PLMD::vesselbase::Vessel::checkRead ( )
inherited

Check that readin was fine.

std::string PLMD::vesselbase::FunctionVessel::description ( )
virtualinherited

The description for the log.

Implements PLMD::vesselbase::Vessel.

void PLMD::vesselbase::Vessel::error ( const std::string &  errmsg)
protectedinherited

Report an error.

void PLMD::vesselbase::Min::finish ( )
virtual

Complete the calculation once the loop is finished.

Implements PLMD::vesselbase::Vessel.

std::string PLMD::vesselbase::Min::function_description ( )
virtual

The rest of the description of what we are calculating.

Implements PLMD::vesselbase::FunctionVessel.

ActionWithVessel * PLMD::vesselbase::Vessel::getAction ( )
inlineprotectedinherited

Return a pointer to the action we are working in.

std::string PLMD::vesselbase::Vessel::getAllInput ( )
protectedinherited

This returns the whole input line (it is used for less_than/more_than/between)

double PLMD::vesselbase::Vessel::getBufferElement ( const unsigned &  i) const
inlineprotectedinherited

Get the value in the ith element of the buffer.

double PLMD::vesselbase::FunctionVessel::getFinalValue ( const unsigned &  j)
inlineprotectedinherited

Get the nth value in the distribution.

std::string PLMD::vesselbase::Vessel::getLabel ( ) const
inherited

Return the label.

std::string PLMD::vesselbase::Vessel::getName ( ) const
inherited

Return the name.

double PLMD::vesselbase::Vessel::getNLTolerance ( ) const
inlineprotectedinherited

Return the value of the neighbor list tolerance.

int PLMD::vesselbase::Vessel::getNumericalLabel ( ) const
inlineprotectedinherited

Return the numerical label.

double PLMD::vesselbase::Vessel::getTolerance ( ) const
inlineprotectedinherited

Return the value of the tolerance.

void PLMD::vesselbase::FunctionVessel::mergeFinalDerivatives ( const std::vector< double > &  df)
protectedinherited

This does a combination of the product and chain rules.

template<class T >
void PLMD::vesselbase::Vessel::parse ( const std::string &  key,
T &  t 
)
protectedinherited

Parse something from the input.

void PLMD::vesselbase::Vessel::parseFlag ( const std::string &  key,
bool &  t 
)
protectedinherited

Parse one keyword as boolean flag.

template<class T >
void PLMD::vesselbase::Vessel::parseVector ( const std::string &  key,
std::vector< T > &  t 
)
protectedinherited

Parse one keyword as std::vector.

virtual void PLMD::vesselbase::Vessel::prepare ( )
inlinevirtualinherited
void PLMD::vesselbase::Min::registerKeywords ( Keywords keys)
static
void PLMD::vesselbase::Min::reserveKeyword ( Keywords keys)
static
void PLMD::vesselbase::FunctionVessel::resize ( )
virtualinherited

This does the resizing of the buffer.

Implements PLMD::vesselbase::Vessel.

Reimplemented in PLMD::crystallization::VectorMean.

void PLMD::vesselbase::Vessel::resizeBuffer ( const unsigned &  n)
inlineprotectedinherited

Set the size of the data buffer.

void PLMD::vesselbase::Vessel::setBufferElement ( const unsigned &  i,
const double &  val 
)
inlineprotectedinherited

Set the value of the ith element in the buffer.

void PLMD::vesselbase::FunctionVessel::setNumberOfDerivatives ( const unsigned &  nder)
protectedinherited

Resize the vector containing the derivatives.

void PLMD::vesselbase::FunctionVessel::setOutputValue ( const double &  val)
inlineprotectedinherited

Set the final value.

std::string PLMD::vesselbase::Vessel::transformName ( const std::string &  name)
staticinherited

Convert the name to the label of the component.

void PLMD::vesselbase::Vessel::zero ( )
inlineinherited

Set all the buffer elements to zero.

Member Data Documentation

double PLMD::vesselbase::Min::beta
private
Communicator& PLMD::vesselbase::Vessel::comm
protectedinherited

A copy of the communicator.

std::vector<double> PLMD::vesselbase::Min::df
private
bool PLMD::vesselbase::FunctionVessel::diffweight
protectedinherited

Are the derivatives differentiable.

Log& PLMD::vesselbase::Vessel::log
inherited

Reference to the log on which to output details.


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