ERKALE
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nucleus_t Struct Reference

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.
 

Detailed Description

Nucleus structure.


The documentation for this struct was generated from the following file: