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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 |
1.8.11