PAWpySeed
Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
radial.h
Go to the documentation of this file.
1 
6 #ifndef RADIAL_H
7 #define RADIAL_H
8 
9 #include <complex.h>
10 
17 double complex offsite_wave_overlap(double* dcoord, double* r1, double* f1, double** spline1, int size1,
18  double* r2, double* f2, double** spline2, int size2,
19  double* lattice, int l1, int m1, int l2, int m2);
20 
29 double complex reciprocal_offsite_wave_overlap(double* dcoord,
30  double* k1, double* f1, double** s1, int size1,
31  double* k2, double* f2, double** s2, int size2,
32  double* lattice, int l1, int m1, int l2, int m2);
33 
34 #endif
double complex reciprocal_offsite_wave_overlap(double *dcoord, double *k1, double *f1, double **s1, int size1, double *k2, double *f2, double **s2, int size2, double *lattice, int l1, int m1, int l2, int m2)
double complex offsite_wave_overlap(double *dcoord, double *r1, double *f1, double **spline1, int size1, double *r2, double *f2, double **spline2, int size2, double *lattice, int l1, int m1, int l2, int m2)