16 double* projectors,
double* aewaves,
double* pswaves,
double* rmaxs,
double grid_encut);
25 double* lattice,
double* reclattice,
ppot_t* pps,
int* fftg);
34 double* lattice,
double* reclattice,
ppot_t* pps,
int* fftg);
42 int num_sites,
double* lattice,
double* reclattice,
double* kpt,
int num_cart_gridpts,
49 int* G_bounds,
double* lattice,
double* reclattice,
int num_cart_gridpts,
int* fftg);
52 int* G_bounds,
double* lattice,
double* reclattice,
int num_cart_gridpts,
int* fftg);
58 int* G_bounds,
double* lattice,
double* reclattice,
int num_cart_gridpts,
int* fftg);
77 int num_sites,
int* fftg,
int* labels,
double* coords);
88 int* labels_R,
int* labels_S,
double* coords_R,
double* coords_S,
89 int* N_R,
int* N_S,
int* N_RS_R,
int* N_RS_S,
int num_N_R,
int num_N_S,
int num_N_RS);
96 int num_M,
int num_N_R,
int num_N_S,
int num_N_RS,
97 int* M_R,
int* M_S,
int* N_R,
int* N_S,
int* N_RS_R,
int* N_RS_S,
98 int* proj_labels,
double* proj_coords,
int* ref_labels,
double* ref_coords,
105 double*
besselt(
double*
r,
double*
k,
double*
f,
double encut,
int N,
int l);
void add_num_cart_gridpts(ppot_t *pp_ptr, double *lattice, int *fftg)
void setup_projections(pswf_t *wf, ppot_t *pps, int num_elems, int num_sites, int *fftg, int *labels, double *coords)
real_proj_site_t * smooth_pw_values(int num_N, int *Nlst, int *labels, double *coords, double *lattice, double *reclattice, ppot_t *pps, int *fftg)
real_proj_site_t * projector_values(int num_sites, int *labels, double *coords, double *lattice, double *reclattice, ppot_t *pps, int *fftg)
void overlap_setup_real(pswf_t *wf_R, pswf_t *wf_S, int *labels_R, int *labels_S, double *coords_R, double *coords_S, int *N_R, int *N_S, int *N_RS_R, int *N_RS_S, int num_N_R, int num_N_S, int num_N_RS)
void onto_smoothpw(kpoint_t *kpt, int band_num, real_proj_site_t *sites, int num_sites, int *G_bounds, double *lattice, double *reclattice, int num_cart_gridpts, int *fftg)
void onto_projector_helper(band_t *band, double complex *x, real_proj_site_t *sites, int num_sites, double *lattice, double *reclattice, double *kpt, int num_cart_gridpts, int *fftg, projection_t *projections)
void onto_projector_ncl(kpoint_t *kpt, int band_num, real_proj_site_t *sites, int num_sites, int *G_bounds, double *lattice, double *reclattice, int num_cart_gridpts, int *fftg)
list x
Definition: quadrature.py:9
void onto_projector(kpoint_t *kpt, int band_num, real_proj_site_t *sites, int num_sites, int *G_bounds, double *lattice, double *reclattice, int num_cart_gridpts, int *fftg)
void compensation_terms(double complex *overlap, int BAND_NUM, pswf_t *wf_S, pswf_t *wf_R, int num_M, int num_N_R, int num_N_S, int num_N_RS, int *M_R, int *M_S, int *N_R, int *N_S, int *N_RS_R, int *N_RS_S, int *proj_labels, double *proj_coords, int *ref_labels, double *ref_coords, int *fft_grid)
ppot_t * get_projector_list(int num_els, int *labels, int *ls, double *wave_grids, double *projectors, double *aewaves, double *pswaves, double *rmaxs, double grid_encut)
void make_pwave_overlap_matrices(ppot_t *pp_ptr)
int k
Definition: rayleigh.py:4
r
Definition: rayleigh.py:38
double * besselt(double *r, double *k, double *f, double encut, int N, int l)