Nucleus structure. More...
#include <basis.h>
Public Attributes | |
size_t | ind |
Index of nucleus. | |
coords_t | r |
Location of nucleus. | |
bool | bsse |
Counterpoise nucleus..? | |
std::string | symbol |
Type of nucleus. | |
int | Z |
Nuclear charge. | |
int | Q |
Net charge in system (used for atomic guess) | |
std::vector< const GaussianShell * > | shells |
List of shells located on nucleus. | |
Nucleus structure.