Multiwfn forum / List of BCP (3, -1) only

Re: List of BCP (3, -1) only

dummy@example.com (GoKuTen) — Fri, 08 Aug 2025 15:40:45 +0000

Hello,

Thank you for your rapid response!

Re: List of BCP (3, -1) only

dummy@example.com (sobereva) — Thu, 07 Aug 2025 12:46:37 +0000

Hello,

This is no corresponding option, however, you can delete other type of CPs (option "-4 Modify or export CPs" and then "2 Delete some CPs") before printing out properties of BCP.
Also, note that in option -3 of topology analysis module there are suboptions "4 Save CPs to CPs.txt in current folder" and "5 Load CPs from a file", via them you can restore all CPs after deleting some of them.

Best regards,

Tian

List of BCP (3, -1) only

dummy@example.com (GoKuTen) — Thu, 07 Aug 2025 09:35:00 +0000

Dear Prof. Tian Lu,

I wanted to ask whether there is a way to merely print out a list of all BCP only, i.e., only the (3,-1) found CP, not all.

Thank you kindly for any response.

Best wishes!