IGMPlot 3.16
Optimized IGMplot version able to use wfn/wfx/xyz files
Loading...
Searching...
No Matches
moleculeOrbital Struct Reference

structure to save molecule orbital data More...

#include <WFreader.h>

Collaboration diagram for moleculeOrbital:
Collaboration graph

Data Fields

unsigned int rank
 to doc and rename
 
double data2
 to doc and rename
 
double occupancy
 TO DOCUMENT.
 
double orbitalEnergy
 to doc
 
double * coefficients
 Primites coefficient for one molecular orbital.
 

Detailed Description

structure to save molecule orbital data


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