PAWpySeed Parallel C/Python package for numerical analysis of PAW DFT wavefunctions

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radial.h
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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
reciprocal_offsite_wave_overlap
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)
offsite_wave_overlap
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)