Path Integral Quantum Monte Carlo
Public Member Functions | Static Public Attributes
CylinderRadialPotentialEstimator Class Reference

Compute the effective radial potential in a cylinder. More...

#include <estimator.h>

+ Inheritance diagram for CylinderRadialPotentialEstimator:
+ Collaboration diagram for CylinderRadialPotentialEstimator:

Public Member Functions

 CylinderRadialPotentialEstimator (const Path &, ActionBase *, const MTRand &, double, int _frequency=1, string _label="cyl_potential")
 Constructor. More...
 
 ~CylinderRadialPotentialEstimator ()
 Destructor.
 
string getName () const
 Get the name of the estimator.
 
- Public Member Functions inherited from EstimatorBase
 EstimatorBase (const Path &_path, ActionBase *_actionPtr, const MTRand &_random, double _maxR, int _frequency=1, string _label="")
 Constructor. More...
 
virtual ~EstimatorBase ()
 Destructor.
 
virtual void sample ()
 Sample the estimator. More...
 
void reset ()
 Reset numAccumulated and the estimator to 0.
 
void restart (const uint32, const uint32)
 Restart the measurment process from a previous state.
 
virtual void output ()
 Output the estimator value to disk. More...
 
virtual void outputFlat ()
 Output a flat estimator value to disk. More...
 
virtual void outputFooter ()
 Ouptut the fooder to disk.
 
bool baseSample ()
 Determine the basic sampling condition. More...
 
uint32 getTotNumAccumulated () const
 Get the total number of accumulated measurments.
 
uint32 getNumAccumulated () const
 Get the number of accumulated measurements since the last reset.
 
uint32 getNumSampled () const
 Get the number of samples since the last reset.
 
void prepare ()
 Prepare the estimator for i/o. More...
 
void addEndLine ()
 Add a carriage return to estimator files.
 
void appendLabel (string append)
 Append to default label. More...
 
string getLabel () const
 Get the estimator label.
 

Static Public Attributes

static const string name
 

Additional Inherited Members

- Protected Member Functions inherited from EstimatorBase
void initialize (int)
 Initialize estimator. More...
 
void initialize (vector< string >)
 Initialize estimator. More...
 
- Protected Attributes inherited from EstimatorBase
const Pathpath
 A constant reference to the paths.
 
ActionBaseactionPtr
 A pointer to the action.
 
MTRand random
 
double maxR
 
fstream * outFilePtr
 The output fie.
 
map< string, int > estIndex
 Map estimator labels to indices.
 
Array< double, 1 > estimator
 The estimator array.
 
Array< double, 1 > norm
 The normalization factor for each estimator.
 
int numEst
 The number of individual quantities measured.
 
int frequency
 The frequency at which we accumulate.
 
int startSlice
 Where imaginary time averages begin.
 
int endSlice
 Where imaginary time averages end.
 
int endDiagSlice
 Where imaginary time averages end for diagonal estimiators.
 
vector< double > sliceFactor
 Used to properly incorporate end affects.
 
string label
 The label used for the output file.
 
uint32 numSampled
 The number of times we have sampled.
 
uint32 numAccumulated
 The number of accumulated values.
 
uint32 totNumAccumulated
 The total number of accumulated values.
 
int numBeads0
 The target number of beads for the canonical ensemble.
 
bool diagonal
 Is this a diagonal estimator?
 
bool endLine
 Should we output a carriage return?
 
bool canonical
 Are we in the canonical ensemble?
 
string header
 The data file header.
 

Detailed Description

Compute the effective radial potential in a cylinder.

Definition at line 1022 of file estimator.h.

Constructor & Destructor Documentation

◆ CylinderRadialPotentialEstimator()

CylinderRadialPotentialEstimator::CylinderRadialPotentialEstimator ( const Path _path,
ActionBase _actionPtr,
const MTRand &  _random,
double  _maxR,
int  _frequency = 1,
string  _label = "cyl_potential" 
)

Constructor.

We compute the effective radial potential by averaging the interaction + external potential felt by the central chain of particles.

Definition at line 3692 of file estimator.cpp.

3693  :
3694  EstimatorBase(_path,_actionPtr,_random,_maxR,_frequency,_label)
3695 {
3696  /* The spatial discretization */
3697  dR = 0.5*path.boxPtr->side[0] / (1.0*NRADSEP);
3698 
3699  /* This is a diagonal estimator that gets its own file */
3701  radPot.resize(NRADSEP);
3702 
3703  /* The header is the first line which contains the spatial separations */
3704  header = str(format("#%15.3E") % 0.0);
3705  for (int n = 1; n < NRADSEP; n++)
3706  header.append(str(format("%16.3E") % ((n)*dR)));
3707 }
dVec side
The linear dimensions of the box.
Definition: container.h:31
string header
The data file header.
Definition: estimator.h:110
EstimatorBase(const Path &_path, ActionBase *_actionPtr, const MTRand &_random, double _maxR, int _frequency=1, string _label="")
Constructor.
Definition: estimator.cpp:103
const Path & path
A constant reference to the paths.
Definition: estimator.h:78
void initialize(int)
Initialize estimator.
Definition: estimator.cpp:201
const Container * boxPtr
A constant reference to the container class.
Definition: path.h:43
#define NRADSEP
Spatial separations to be used in the radial density.
Definition: common.h:92
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The documentation for this class was generated from the following files: