<![CDATA[Multiwfn forum / Electrostatic Potential Calculation using Multiwfn]]> //www.umsyar.com/wfnbbs/viewtopic.php?id=972 The most recent posts in Electrostatic Potential Calculation using Multiwfn. Fri, 08 Mar 2024 20:07:03 +0000 FluxBB <![CDATA[Re: Electrostatic Potential Calculation using Multiwfn]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=3715#p3715

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

dummy@example.com (sobereva) Fri, 08 Mar 2024 20:07:03 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=3715#p3715
<![CDATA[Electrostatic Potential Calculation using Multiwfn]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=3714#p3714

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.

dummy@example.com (Abhishek) Fri, 08 Mar 2024 10:46:38 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=3714#p3714
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