DFT-FE 1.1.0-pre
Density Functional Theory With Finite-Elements
|
Functions | |
void | getRadialFunctionVal (const double radialCoordinate, double &splineVal, const alglib::spline1dinterpolant *spline) |
void | getSphericalHarmonicVal (const double theta, const double phi, const int l, const int m, double &sphericalHarmonicVal) |
void | convertCartesianToSpherical (double *x, double &r, double &theta, double &phi) |
|
inline |
|
inline |
|
inline |