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How can I obtain and plot the UV-VIS , IR and NMR spectrum #97

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johTin opened this issue Jun 23, 2022 · 2 comments
Open

How can I obtain and plot the UV-VIS , IR and NMR spectrum #97

johTin opened this issue Jun 23, 2022 · 2 comments

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@johTin
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johTin commented Jun 23, 2022

Hello every body,
I do some jobs using Pyscf and I want to trace some spectrums, how can i do?
or is there any soft or programs to extract them from log or chk files ?

thanks

@ndattani
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@johTin did you figure out the answer to your problem yet?

This is the page for "issues" about the PySCF documentation and website.

If you want to ask questions about science, or how to do calculations, why not ask it at Matter Modeling Stack Exchange?

@johTin johTin closed this as completed Nov 23, 2022
@johTin
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johTin commented Nov 23, 2022

thanks ndattani for the Matter Modeling Stack Exchange good .

@johTin johTin reopened this Nov 23, 2022
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