Path Integral Quantum Monte Carlo
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Computes the potential energy for delta function interaction potential, approximated here as the limit of a Cauchy distribution. More...
#include <potential.h>
Public Member Functions | |
LorentzianPotential (double, double) | |
Constructor. More... | |
~LorentzianPotential () | |
Destructor. | |
double | V (const dVec &r) |
Return the delta function potential with strength 2c approximated as the limit of a Lorentzian distribution. More... | |
dVec | gradV (const dVec &r) |
Return the gradient of the delta function potential with strength 2c approximated as the limit of a Lorentzian distribution. More... | |
Public Member Functions inherited from PotentialBase | |
PotentialBase () | |
Constructor. | |
virtual | ~PotentialBase () |
Destructor. | |
virtual double | V (const dVec &, const dVec &) |
The effective potential for the pair product approximation. | |
virtual double | grad2V (const dVec &) |
Grad^2 of the potential. | |
virtual double | dVdlambda (const dVec &, const dVec &) |
The derivative of the effective potential with respect to lambda and tau. | |
virtual double | dVdtau (const dVec &, const dVec &) |
virtual Array< dVec, 1 > | initialConfig (const Container *, MTRand &, const int) |
Default Initial configuration of particles. More... | |
void | output (const double) |
A debug method that output's the potential to a supplied separation. More... | |
virtual Array< double, 1 > | getExcLen () |
Array to hold data elements. More... | |
Additional Inherited Members | |
Data Fields inherited from PotentialBase | |
double | tailV |
Tail correction factor. | |
Protected Member Functions inherited from PotentialBase | |
double | deltaSeparation (double sep1, double sep2) const |
Return the minimum image difference for 1D separations. | |
Computes the potential energy for delta function interaction potential, approximated here as the limit of a Cauchy distribution.
Definition at line 275 of file potential.h.
LorentzianPotential::LorentzianPotential | ( | double | _a, |
double | _c | ||
) |
Constructor.
Setup the delta function strength and normalization constant.
_a | The width^2 of the Lorentzian |
_c | The integrated strength of the Lorentzian |
Definition at line 413 of file potential.cpp.
Return the gradient of the delta function potential with strength 2c approximated as the limit of a Lorentzian distribution.
Tested and working in Mathematica.
Reimplemented from PotentialBase.
Definition at line 294 of file potential.h.
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inlinevirtual |
Return the delta function potential with strength 2c approximated as the limit of a Lorentzian distribution.
Tested and working in Mathematica.
Reimplemented from PotentialBase.
Definition at line 285 of file potential.h.