Pauling's bond order

Toshi bgh... at
Wed Jan 10 06:39:04 UTC 2018

Hi all,

I'm doing QM/MM Metadynamics simulation to observe Sn2 reaction.
And I want to see how Pauling's bond order changes in the course of 
Does anyone know how to calculate Pauling's bond order from cp2k output 
Thanks in advance.

Best regards,
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