<![CDATA[Multiwfn forum / Electrostatic Potential Calculation using Multiwfn]]> http://www.shanxitv.org/wfnbbs/viewtopic.php?id=972 Fri, 08 Mar 2024 20:07:03 +0000 FluxBB <![CDATA[Re: Electrostatic Potential Calculation using Multiwfn]]> http://www.shanxitv.org/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

]]> Fri, 08 Mar 2024 20:07:03 +0000 http://www.shanxitv.org/wfnbbs/viewtopic.php?pid=3715#p3715 <![CDATA[Electrostatic Potential Calculation using Multiwfn]]> http://www.shanxitv.org/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.

]]> Fri, 08 Mar 2024 10:46:38 +0000 http://www.shanxitv.org/wfnbbs/viewtopic.php?pid=3714#p3714 久久精品国产99久久香蕉