PAWpySeed
Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
radial.h
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1 
6 #ifndef RADIAL_H
7 #define RADIAL_H
8 
9 #include <complex.h>
10 
11 double complex spherwave_planewave_overlap(double* center,
12  double* r, double* f, double** spline, int size,
13  double* lattice, double* reclattice, int l, int m,
14  double complex* x, int* fftg, double* k);
15 
22 double complex offsite_wave_overlap(double* dcoord, double* r1, double* f1, double** spline1, int size1,
23  double* r2, double* f2, double** spline2, int size2,
24  double* lattice, int l1, int m1, int l2, int m2);
25 
33 double complex reciprocal_offsite_wave_overlap(double* dcoord,
34  double* k1, double* f1, double** s1, int size1,
35  double* k2, double* f2, double** s2, int size2,
36  double* lattice, int l1, int m1, int l2, int m2);
37 
38 #endif
double complex spherwave_planewave_overlap(double *center, double *r, double *f, double **spline, int size, double *lattice, double *reclattice, int l, int m, double complex *x, int *fftg, double *k)
f
Definition: gaunt.py:28
list x
Definition: quadrature.py:9
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)
int k
Definition: rayleigh.py:4
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)
r
Definition: rayleigh.py:38