Multiwfn forum

saeed_E

Member

Registered: 2019-12-21

Posts: 244

A script is needed

Dear Tian,
I hope you are doing well.
If possible, please let me know whether or not you have a script similar to "GauIRC2xyz" by which one can convert points along a relaxed- or rigid-scan profile into corresponding "XYZ" points. If you have already prepared such a script, I would highly grateful you let me know where I can download it.

Sincerely,
Saeed

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,830

Website

Re: A script is needed

Dear Saeed,

I don't have such a script

Best,

Tian

saeed_E

Member

Registered: 2019-12-21

Posts: 244

Re: A script is needed

My nice friend, dear Tian,
Too many thanks for your kind attention to make me aware of this matter.

Sincerely,
Saeed