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#1 2024-03-22 14:57:07
- szgk
- Member
- Registered: 2024-03-22
- Posts: 2
UV-Vis extrema labels when saving graphical file
Hello,
I am batch processing a number of spectra saved as transinfo.txt files. I use the following input stream. The maxima labels will not be printed to the png file. I noticed that if I work in interactive mode, the extrema are identified when I input 0 Plot spectrum first before 1 Save graphical file of the spectrum in current folder. However, I wish to avoid opening a window for each file I process in a batch loop. How to modify my input stream to achieve this?
11
3
8
.1
22
1
9
3
3
0
13
3
5
3
350,800,50
16
1
1
4
8
20,50
0
1
Last edited by szgk (2024-03-22 14:59:51)
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#3 2024-03-25 10:26:41
- szgk
- Member
- Registered: 2024-03-22
- Posts: 2
Re: UV-Vis extrema labels when saving graphical file
Thank you for your reply. This is not a great solution. There are a few inconveniences:
1) I use Multiwfn on a multi-user machine and the program is maintained by the admin. I have to ask them to edit the file,
2) Often I work interactively and do want the window to appear. Each time I want to use batch mode I would need to switch, and then switch back.
I can probably circumvent point 1) by making my own install from source, but 2) would still be bothersome. Perhaps another command (different than 0 Plot spectrum) can identify the maxima and minima that can be run before saving the graphical file?
Last edited by szgk (2024-03-25 10:31:43)
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#4 2024-03-25 12:48:37
Re: UV-Vis extrema labels when saving graphical file
You can run Multiwfn with -silent option, for example: Multiwfn test.fch -silent 1, then graphical window will not automatically appear. This use can be found in Section 2.2 of Multiwfn manual.
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