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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>
Inheritance diagram for LorentzianPotential:
Collaboration diagram for LorentzianPotential: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.