Multiwfn forum

Multiwfn official website: http://sobereva.com/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn

You are not logged in.

#1 2023-08-17 14:42:01

moabe
Member
Registered: 2023-06-26
Posts: 7

Outputting AIM charges

Hi Everyone,
I'm wondering if it's possible to output the AIM charges to a file, like other charge methods.

Thanks,
Mostafa

Offline

#2 2023-08-17 19:31:54

sobereva
Tian Lu (Multiwfn developer)
From: Beijing
Registered: 2017-09-11
Posts: 1,660
Website

Re: Outputting AIM charges

Dear Mostafa,

You can directly copy the information from screen, see Section 5.4 of Multiwfn manual, or redirect outputted information of Multiwfn to a plain text file, then use "awk" or "grep" to extract the data and store to another file.

Best,

Tian

Offline

Board footer

Powered by FluxBB