QMCElectronNucleusCuspParameters Member List

This is the complete list of members for QMCElectronNucleusCuspParameters, including all inherited members.

alphaQMCElectronNucleusCuspParameters [private]
CQMCElectronNucleusCuspParameters [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
idealCurveQMCElectronNucleusCuspParameters [private]
initialize(const Array2D< qmcfloat > &temp_OrbitalCoefficients, double temp_n0, double temp_rc, const Polynomial &temp_idealCurve, int temp_Z)QMCElectronNucleusCuspParameters
n0QMCElectronNucleusCuspParameters [private]
noCQMCElectronNucleusCuspParameters [private]
operator<<(ostream &strm, QMCElectronNucleusCuspParameters &rhs)QMCElectronNucleusCuspParameters [friend]
operator=(const QMCElectronNucleusCuspParameters &rhs)QMCElectronNucleusCuspParameters
orbitalCoefficientsQMCElectronNucleusCuspParameters [private]
phi0QMCElectronNucleusCuspParameters [private]
printParameters()QMCElectronNucleusCuspParameters
QMCElectronNucleusCuspParameters()QMCElectronNucleusCuspParameters
rcQMCElectronNucleusCuspParameters [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
sgn0QMCElectronNucleusCuspParameters [private]
sigma_sqQMCElectronNucleusCuspParameters [private]
ZQMCElectronNucleusCuspParameters [private]
ZeffQMCElectronNucleusCuspParameters [private]


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