IGMPlot 3.16
Optimized IGMplot version able to use wfn/wfx/xyz files
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centerData Struct Reference

structure to save center data More...

#include <WFreader.h>

Collaboration diagram for centerData:
Collaboration graph

Data Fields

std::string * element
 The atomic element, using a string for easing the use.
 
unsigned int value
 to doc and rename
 
unsigned int rank
 to doc
 
double coordinates [3]
 coordinates to doc and rename
 
double charge
 to doc
 

Detailed Description

structure to save center data


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