IGMPlot: moleculeOrbital Struct Reference

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

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Data Fields
moleculeOrbital Struct Reference

structure to save molecule orbital data More...

`#include <WFreader.h>`

Collaboration diagram for moleculeOrbital:

## 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:

- src/include/WFreader.h