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#1 Multiwfn and wavefunction analysis » Prepare useful batch script file » 2020-11-04 11:12:24

hcy5561
Replies: 3

Hello, good work.
I will have a very important request from you for my thesis study.

I prepared a batch script containing a few input files. The script works
fine. However, I need to get around 250 data from this script's output
file, and I have to do this for over 150 compounds. It is very difficult
to do it by hand, it is a very long process. Can I do this in a simple
way? Is there any way?

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