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Сovalent bond tolerance parameter adjustment #28

@aleksandrdubok

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@aleksandrdubok

In the include/occ/core/bondgraph.h file, the tolerance for covalent bonding is set to 0.4 angstroms. As I understand it, this parameter means that if the sum of the covalent radii is, for example, 1.41 angstroms, then atoms with a distance of 1.41 +- 0.4 angstroms are also considered to be covalently bonded. In the description of command line options, I have not found a parameter that affects this value. Is it possible to make the covalent bonding tolerance parameter adjustable?

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