Path Integral Quantum Monte Carlo
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FIXME Returns van der Waals' potential between a helium adatom and a graphene sheet using summation in reciprocal sp. More...
#include <potential.h>
Public Member Functions | |
GrapheneLUT3DPotentialToText (const string, const Container *) | |
Constructor. | |
~GrapheneLUT3DPotentialToText () | |
Destructor. | |
Public Member Functions inherited from PotentialBase | |
PotentialBase () | |
Constructor. | |
virtual | ~PotentialBase () |
Destructor. | |
virtual double | V (const dVec &) |
The potential. | |
virtual double | V (const dVec &, const dVec &) |
The effective potential for the pair product approximation. | |
virtual dVec | gradV (const dVec &) |
The gradient of the potential. | |
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. | |
FIXME Returns van der Waals' potential between a helium adatom and a graphene sheet using summation in reciprocal sp.
Author: Nathan Nichols Returns the potential energy resulting from a van der Waals' interaction between a helium adatom and a fixed infinite graphene lattice
Definition at line 1650 of file potential.h.