ERKALE
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atom_t Struct Reference

A structure for reading in atoms. More...

#include <xyzutils.h>

Public Attributes

std::string el
 Type of atom.
 
size_t num
 Atom number.
 
double x
 x coordinate;
 
double y
 y coordinate
 
double z
 z coordinate
 
int Q
 Charge.
 

Detailed Description

A structure for reading in atoms.


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