Vibrational spectrscopy module update and normal mode animation - #58
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ppravatto wants to merge 23 commits into
Open
Vibrational spectrscopy module update and normal mode animation#58ppravatto wants to merge 23 commits into
ppravatto wants to merge 23 commits into
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…ment-generation-of-gif-animation-from-system-list-or-path
…l_Mode_Animation
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Can you link to the post? Curious to follow it as well |
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My original post is this: https://orcaforum.kofo.mpg.de/viewtopic.php?f=8&t=14030&p=55859#p55859. Unfortunately, I have not received any reply to date. |
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This pull request introduces the following improvements:
Open issue:
One aspect remains unresolved and requires clarification: the relationship between the molar extinction coefficient and the integrated intensity. A question has been posted on the ORCA forum, but no response has been received yet. I will update issue #46 to keep track of this.