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    #2 Multiwfn and wavefunction analysis Laplacian along bond paths 2023-02-11 18:05:04

    redfox1995
    Replies: 2

    Hello everyone,

    I am sorry if this has been posted or asked somewhere and I tried my best (30 minutes) to find an answer to my problem but figured I might just ask this awesome forum instead.

    Is there any way to generate the information of Laplacian values along a bond path instead of the default interatomic shortest distance (I assume)?

    The reason I want this rather than along the interatomic shortest distance is that I want to investigate banana shaped bonds and there the laplacian differs strongly between those choices.

    Thank you very much in advance and again, I am very sorry if this is kind of obvious, I am very new to this software...

    All the best!

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