PAWpySeed
Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
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#include <utils.h>
Public Attributes | |
int | num_elems |
int | num_sites |
ppot_t * | pps |
int * | G_bounds |
kpoint_t ** | kpts |
int | nspin |
int | nband |
int | nwk |
double * | lattice |
double * | reclattice |
int * | fftg |
int | num_aug_overlap_sites |
double * | dcoords |
double complex ** | overlaps |
double* pswf::dcoords |
int* pswf::fftg |
int* pswf::G_bounds |
kpoint_t** pswf::kpts |
double* pswf::lattice |
int pswf::nband |
int pswf::nspin |
int pswf::num_aug_overlap_sites |
int pswf::num_elems |
int pswf::num_sites |
int pswf::nwk |
double complex** pswf::overlaps |
ppot_t* pswf::pps |
double* pswf::reclattice |