, including all inherited members.
alpha | QMCElectronNucleusCuspParameters | [private] |
C | QMCElectronNucleusCuspParameters | [private] |
calculateLocalEnergy(double r, bool rIsZero) | QMCElectronNucleusCuspParameters | [private] |
calculateSigmaSq() | QMCElectronNucleusCuspParameters | [private] |
evaluateOriginalOrbital(double x, double y, double z, double r, double &orig_value, double &orig_gradx, double &orig_grady, double &orig_gradz, double &orig_laplacian) | QMCElectronNucleusCuspParameters | [private] |
evaluateOriginalOrbital(double x, double y, double z, double r, double &orig_value) | QMCElectronNucleusCuspParameters | [private] |
evaluateReplacementOrbital(double x, double y, double z, double r, double &rep_value, double &rep_gradx, double &rep_grady, double &rep_gradz, double &rep_laplacian) | QMCElectronNucleusCuspParameters | [private] |
evaluateReplacementOrbital(double x, double y, double z, double r, double &rep_value) | QMCElectronNucleusCuspParameters | [private] |
findMaxDeviation(double lower, double upper, bool lowerBoundZero, double &max) | QMCElectronNucleusCuspParameters | [private] |
fitReplacementOrbital(double temp_phi0) | QMCElectronNucleusCuspParameters | |
get_rc() | QMCElectronNucleusCuspParameters | |
getSigmaSq() | QMCElectronNucleusCuspParameters | |
idealCurve | QMCElectronNucleusCuspParameters | [private] |
initialize(const Array2D< qmcfloat > &temp_OrbitalCoefficients, double temp_n0, double temp_rc, const Polynomial &temp_idealCurve, int temp_Z) | QMCElectronNucleusCuspParameters | |
n0 | QMCElectronNucleusCuspParameters | [private] |
noC | QMCElectronNucleusCuspParameters | [private] |
operator<<(ostream &strm, QMCElectronNucleusCuspParameters &rhs) | QMCElectronNucleusCuspParameters | [friend] |
operator=(const QMCElectronNucleusCuspParameters &rhs) | QMCElectronNucleusCuspParameters | |
orbitalCoefficients | QMCElectronNucleusCuspParameters | [private] |
phi0 | QMCElectronNucleusCuspParameters | [private] |
printParameters() | QMCElectronNucleusCuspParameters | |
QMCElectronNucleusCuspParameters() | QMCElectronNucleusCuspParameters | |
rc | QMCElectronNucleusCuspParameters | [private] |
replaceOrbitalValues(double x, double y, double z, double r, double &orb_value, double &orb_gradx, double &orb_grady, double &orb_gradz, double &orb_laplacian) | QMCElectronNucleusCuspParameters | |
replaceOrbitalValues(double x, double y, double z, double r, double &orb_value) | QMCElectronNucleusCuspParameters | |
set_rc(double temp_rc) | QMCElectronNucleusCuspParameters | |
sgn0 | QMCElectronNucleusCuspParameters | [private] |
sigma_sq | QMCElectronNucleusCuspParameters | [private] |
Z | QMCElectronNucleusCuspParameters | [private] |
Zeff | QMCElectronNucleusCuspParameters | [private] |