IGMPlot: bond_t Struct Reference

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

Loading...
Searching...
No Matches
Data Fields
bond_t Struct Reference

Structure describing studied bond (QM treatment) More...

`#include <general.h>`

Collaboration diagram for bond_t:

## Data Fields
std::pair< unsigned int, unsigned int > | atomPair
| atom indexes
double | length
| bond length
double | ibsi
| IBSI value.
double | baf
| baf value
double | ABx
| AB vector from first to second atom.

## Detailed Description

Structure describing studied bond (QM treatment)

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

- src/include/general.h