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#1 2024-03-08 10:46:38
- Abhishek
- Member
- Registered: 2023-12-17
- Posts: 2
Electrostatic Potential Calculation using Multiwfn
Is there any reference from where I can access the code used in Multiwfn to compute the electrostatic potential (ESP)?
If yes, can I get access to the codes or the algorithm used in the code.
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#2 2024-03-08 20:07:03
Re: Electrostatic Potential Calculation using Multiwfn
The algorithm was described in Phys. Chem. Chem. Phys., 2021, 23, 20323.
The function used to calculate ESP is "function totesp(x,y,z)" in function.f90
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