Multiwfn forum / Performing ASM and sobEDA along whole IRC profile in a complete....

Re: Performing ASM and sobEDA along whole IRC profile in a complete....

dummy@example.com (saeed_E) — Wed, 14 May 2025 15:18:43 +0000

Dear Tian,
OK. I am so happy and honored you liked my suggestion; thank you very much.
Please, also, let me indicate that I found a very inappreciable problem in one of the written codes. I am working on that to resolve this problem. Once this problem was resolved, I will try to prepare a detailed instruction (which is so time-consuming since I should explain one-by-one five scripts) and, if you let me, I will send them to you through your email.

Best regards,
Saeed

Re: Performing ASM and sobEDA along whole IRC profile in a complete....

dummy@example.com (sobereva) — Tue, 13 May 2025 11:08:34 +0000

Great. If it can be made public, I suggest you sharing it here, or upload it to github and provide link here, many people will be benefit from it.

Performing ASM and sobEDA along whole IRC profile in a complete....

dummy@example.com (saeed_E) — Tue, 13 May 2025 00:28:09 +0000

Dear Tian,
If possible, and you kindly let me, I would like to respectfully inform you that I can finally prepare nice bash scripts to perform activation/strain as well as sobEDA analyses along the whole IRC profile in a completely automated manner. If you find it appropriate, I can send these scripts with detailed instructions so that you (probably after some personalization and improving user experience), include them in the next releases of Multiwfn.

Best regards,
Saeed