Re: [Gausssum-help] Issue with Gausssum (creating batch files instead of shell files)

[Noel O'B. <bao...@gm...>]

I don't really supply support for GaussSum these days, but...

If you run it on Linux, it should create a .sh file:
https://github.com/gausssum/gausssum/blob/master/src/gausssum/electrontrans.py#L128

Regards,
Noel


On Wed, 16 Nov 2022 at 12:25, Ahmad Issa <ahm...@la...> wrote:

> Correction:
> My apologies, the tutorial I'm following is from this paper:
> https://pubs.acs.org/doi/full/10.1021/acs.jchemed.5b00801
>
> Thank you for your help!
> ------------------------------
> *From:* Ahmad Issa
> *Sent:* Wednesday, November 16, 2022 12:39 PM
> *To:* bao...@us... <bao...@us...>;
> gau...@li... <gau...@li...>
> *Subject:* Issue with Gausssum (creating batch files instead of shell
> files)
>
> Hello,
>
> I hope you are doing well. I need help using your software Gausssum and I
> was hoping you can help me.
>
> My name is Ahmad Issa, a student at the Lebanese American University
> majoring in Computer Science.
>
> I am currently working on a research and I was using Gausssum to help me
> generate .cub files in order to use them in Gaussview. As I was following
> your tutorial (Teaching Inorganic Photophysics and Photochemistry with
> Three Ruthenium Polypyridil Complexes), I opened the log filenusing
> Gausssum and followed the instructions carefully, until I had to run the
> eddm.sh files, as Gausssum generated eddm.bat files. I used different
> versions of Gausssum they generated eddm.bat files as well.
>
> Can you help me find the solution to this problem? That would be highly
> appreciated.
>
> Best,
> Ahmad Issa
> Get Outlook for iOS <https://aka.ms/o0ukef>
>