QMCBasisFunction Member List
This is the complete list of members for
QMCBasisFunction, including all inherited members.
angularGrid(Array2D< double > &grid, int nuc, Array2D< Array1D< double > > &angularCi) | QMCBasisFunction | |
basisFunctionsOnGrid(Array2D< double > &grid, int nuc, Array2D< Array1D< double > > &angularCi, Array2D< qmcfloat > &chi_val) | QMCBasisFunction | |
BFCoeffs | QMCBasisFunction | [protected] |
BFLookupTable | QMCBasisFunction | [protected] |
evaluateBasisFunctions(Array2D< double > &X, Array2D< qmcfloat > &chi_value) | QMCBasisFunction | |
evaluateBasisFunctions(Array2D< double > &X, int start, int stop, Array2D< qmcfloat > &chi_value, Array2D< qmcfloat > &chi_grx, Array2D< qmcfloat > &chi_gry, Array2D< qmcfloat > &chi_grz, Array2D< qmcfloat > &chi_laplacian) | QMCBasisFunction | |
flags | QMCBasisFunction | [protected] |
getBFCoeffs(int i) | QMCBasisFunction | |
getNumberBasisFunctions(int i) | QMCBasisFunction | |
initialize(QMCFlags *flags, QMCMolecule *molecule) | QMCBasisFunction | |
initializeInterpolation(int bfc_number, int orbital, CubicSplineWithGeometricProgressionGrid &S, int whichDerivative) | QMCBasisFunction | [private] |
initializeInterpolations() | QMCBasisFunction | [private] |
Molecule | QMCBasisFunction | [protected] |
N_BasisFunctions | QMCBasisFunction | [protected] |
operator<<(ostream &strm, QMCBasisFunction &rhs) | QMCBasisFunction | [friend] |
operator=(const QMCBasisFunction &rhs) | QMCBasisFunction | |
operator>>(istream &strm, QMCBasisFunction &rhs) | QMCBasisFunction | [friend] |
QMCBasisFunction() | QMCBasisFunction | |
QMCPsiPotential class | QMCBasisFunction | [friend] |
radialFunction(QMCBasisFunctionCoefficients &BFC, int orbital, double r_sq) | QMCBasisFunction | [private, static] |
radialFunctionFirstDerivative(QMCBasisFunctionCoefficients &BFC, int orbital, double r_sq) | QMCBasisFunction | [private, static] |
RadialFunctionFirstDerivativeInterpolation | QMCBasisFunction | [private] |
RadialFunctionInterpolation | QMCBasisFunction | [private] |
radialFunctionSecondDerivative(QMCBasisFunctionCoefficients &BFC, int orbital, double r_sq) | QMCBasisFunction | [private, static] |
RadialFunctionSecondDerivativeInterpolation | QMCBasisFunction | [private] |
read(string runfile) | QMCBasisFunction | |
use_radial_interpolation | QMCBasisFunction | [private] |
Xcalc | QMCBasisFunction | [protected] |