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    #1 Multiwfn and wavefunction analysis Electron density cube file from UHF Molden file for alpha spin only? 2022-11-07 16:02:38

    SCmwfnQ
    Replies: 2

    Dear Tian Lu,
    Can Multiwfn generate a cube file from alpha spins only (or beta spins only) from a UHF molden file?
    I've been using orbkit to do that, but Multiwfn has a lot of advantage!
    Thanks very much,
    Steve Coy

    #2 Re: Multiwfn and wavefunction analysis Missing bond between some atoms in VMD 2022-11-07 15:05:50

    Also, VMD Dynamic Bonds can add bonds based on interatomic distances.

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