Path Integral Quantum Monte Carlo
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Computes the potential energy for the periodic Sutherland model which approximates long-range 1/r^2 interactions on a ring. More...
#include <potential.h>
Public Member Functions | |
SutherlandPotential (double) | |
Constructor. More... | |
~SutherlandPotential () | |
Destructor. | |
double | V (const dVec &r) |
Return the Sutherland potential g/r^2. | |
dVec | gradV (const dVec &r) |
Return the gradient of the Sutherland potential. | |
double | grad2V (const dVec &r) |
Return the Laplacian of the Sutherland potential. | |
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 | 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 the periodic Sutherland model which approximates long-range 1/r^2 interactions on a ring.
Definition at line 313 of file potential.h.
SutherlandPotential::SutherlandPotential | ( | double | _g | ) |
Constructor.
Setup the parameters of the potential.
_g | The interaction strength. |
Definition at line 439 of file potential.cpp.