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. | |
A structure for reading in atoms.