Atom_Labels | QMCMolecule | |
Atom_Positions | QMCMolecule | |
evaluatePotential(Array2D< double > &V, double r) | QMCMolecule | |
findClosestNucleusIndex(Array2D< double > &x, int index) | QMCMolecule | |
getGrid(int nuc, double R, bool translate) | QMCMolecule | |
getNuclearCharge() | QMCMolecule | |
getNumberAtoms() | QMCMolecule | |
grid | QMCMolecule | [private] |
gridLegendre | QMCMolecule | |
gridLevel | QMCMolecule | [private] |
gridWeights | QMCMolecule | |
initialize(int nAtoms, int GridLevel) | QMCMolecule | |
Natoms | QMCMolecule | [private] |
NucleiTypes | QMCMolecule | |
operator<<(ostream &strm, QMCMolecule &rhs) | QMCMolecule | [friend] |
operator=(const QMCMolecule &rhs) | QMCMolecule | |
operator>>(istream &strm, QMCMolecule &rhs) | QMCMolecule | [friend] |
psuedoTitle | QMCMolecule | |
QMCMolecule() | QMCMolecule | |
readGeometry(string runfile) | QMCMolecule | |
readPsuedoPotential(string runfile) | QMCMolecule | |
usesPsuedo | QMCMolecule | |
Vlocal | QMCMolecule | |
Vnonlocal | QMCMolecule | |
Z | QMCMolecule | |
Zeff | QMCMolecule |