bond orders

Axel akoh... at
Wed May 21 01:38:39 UTC 2008

On May 20, 3:28 pm, Ali <RNAlo... at> wrote:
> Dear CP2K Users,
> Is there any *easy* way to print out the bond orders between atoms in
> a system?


grepping through the sources i don't see *any*
mentioning of bond order altogether, so i suspect
that there is not even a "complicated" way to output
them (unless you program it, that is).


> Ali

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