Multiwfn forum

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

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,830

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