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

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

#include <general.h>

Collaboration diagram for bond_t:
Collaboration graph

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: