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IGMPlot 3.16
Optimized IGMplot version able to use wfn/wfx/xyz files
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Structure describing studied bond (QM treatment) More...
#include <general.h>

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. | |
Structure describing studied bond (QM treatment)