Path Integral Quantum Monte Carlo
Public Member Functions | Static Public Member Functions | Protected Member Functions | List of all members
ConstantParameters Class Reference

Constant simulation parameters. More...

#include <constants.h>

Public Member Functions

void initConstants (po::variables_map &)
 Initialize all constants from command line, XMl and defaults. More...
 
double T () const
 Get temperature.
 
double imagTimeLength () const
 Get the extent in imaginary time.
 
double mu () const
 Get chemical potential.
 
double tau () const
 Get imaginary time step.
 
double m () const
 Get mass.
 
double lambda () const
 Get lambda = hbar^2/(2mk_B)
 
double rc () const
 Get potential cutoff.
 
double rc2 () const
 Get potential cutoff squared.
 
double C0 () const
 Get worm factor C0.
 
double C () const
 Get full worm constant.
 
double V () const
 Get cell volume.
 
double L () const
 Get maximum side length.
 
double comDelta () const
 Get center of mass shift.
 
double displaceDelta () const
 Get center of mass shift.
 
int virialWindow () const
 Get centroid virial window size.
 
double dBWavelength () const
 Get deBroglie wavelength. More...
 
double rho0Norm (int M, int d) const
 Get density matrix normalization factor.
 
double fourLambdaTauInv () const
 Get (4lambda/tau)^{-1}.
 
double attemptProb (string type)
 
void setAttemptProb (string type, double prob)
 
bool restart () const
 Get restart state.
 
bool wallClockOn () const
 Get wallclockOn.
 
uint32 wallClock () const
 Get wallclock limit.
 
bool canonical () const
 Get ensemble.
 
bool window () const
 Get window on/off.
 
bool startWithState () const
 Are we starting from a state?
 
int windowWidth () const
 Get window 1/2 width.
 
bool gaussianEnsemble () const
 Get enesemble weight on/off.
 
double gaussianEnsembleSD () const
 Get enesemble weight standard dev.
 
int Mbar ()
 Get Mbar.
 
int b ()
 Get bisection level.
 
int numTimeSlices ()
 Get number of time slices.
 
int initialNumParticles ()
 Get initial number of particles.
 
int maxWind ()
 Get the maximum winding number sampled.
 
uint32 id ()
 Get simulation ID.
 
uint32 numEqSteps ()
 Get the number of equilibration steps.
 
int numBroken ()
 
double spatialSubregion ()
 
bool spatialSubregionOn ()
 
int Npaths ()
 
string intPotentialType () const
 Get interaction potential type.
 
string extPotentialType () const
 Get external potential type.
 
string waveFunctionType () const
 Get wave function type.
 
double endFactor () const
 Get end factor.
 
string actionType () const
 Get wave action type.
 
double R_LL_wfn () const
 Get Lieb-Liniger length scale.
 
double k_LL_wfn () const
 Get Lieb-Liniger wave number.
 
void setmu (double _mu)
 Set the value of the chemical potential.
 
void setCoMDelta (double _comDelta)
 Set the CoM move size.
 
void setDisplaceDelta (double _displaceDelta)
 Set the displace move size.
 
void shiftC0 (double frac)
 Shift the value of C0.
 
void getC ()
 Get the value of the worm constant.
 
void shiftCoMDelta (double frac)
 Shift the CoM move size.
 
void shiftDisplaceDelta (double frac)
 Shift the displace move size.
 
void shiftmu (double frac)
 Shift the chemical potential.
 
void incid ()
 Increment the PIMCID by 1.
 
bool saveStateFiles ()
 Are we saving states every MC bin?
 

Static Public Member Functions

static ConstantParametersgetInstance ()
 This public method returns an instance of the constant object, Only one can ever exist at a time.
 

Protected Member Functions

 ConstantParameters ()
 An empty constructor which simply sets all constants to null.
 
 ConstantParameters (const ConstantParameters &)
 Protected constructor.
 
ConstantParametersoperator= (const ConstantParameters &)
 Overload Singleton equals.
 

Detailed Description

Constant simulation parameters.

Holds a number of parameters that will need to be accessed throughout the simulation and allows their access via the singleton design pattern.

See also
http://en.wikipedia.org/wiki/Singleton_pattern

Definition at line 28 of file constants.h.

Member Function Documentation

◆ dBWavelength()

double ConstantParameters::dBWavelength ( ) const
inline

Get deBroglie wavelength.

Get deBroglie wavelength

Definition at line 53 of file constants.h.

◆ initConstants()

void ConstantParameters::initConstants ( po::variables_map &  params)

Initialize all constants from command line, XMl and defaults.

We initialize all constant parameters used in the simulation. The ID is computed as the number of seconds since January 01, 2009. The value of lambda = hbar^2/2 m k_B is computed in units where lenghts are measured in angstroms and energies in kelvin.

Definition at line 33 of file constants.cpp.


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