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Thanks~ I checked what you did!
It works fine!
Thank you so much. I will be waiting for your notice~
I really appreciate your effort!
I have two questions. 1) is it possible to get quadrupole octupole moment matrices through Multiwfn? I have density matrices in an unusual format. so I want to read the density and operator matrix and calculate matrix multiplication with operator and get a trace of it.
2) I downloaded and check the 3.7(dev) source file but I couldn't find quadrupole/octupole moment integral functions in integral.f90 which I expect to contain the functions. Did you only upload binary files? (I didn't check binary yet)
Yes!! I need it!! I really appreciate for adding those features~ Can you estimate the development period for those features?
Hi, I'm a newbie.
In order to calculate electric quadrupole and octupole from the density matrix, I need quadrupole and octupole momentum matrices
For dipole moment, Manual (section 3.200.2) tells details but I cannot find how to build quadrupole and octupole momentum matrices.
Is it possible to build those matrices through Multiwfn?
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