<![CDATA[Multiwfn forum / Using ORCA to speed up ESP calculations like with Gaussian]]> http://sobereva.com/wfnbbs/viewtopic.php?id=1716 Fri, 05 Sep 2025 10:18:50 +0000 FluxBB <![CDATA[Re: Using ORCA to speed up ESP calculations like with Gaussian]]> http://sobereva.com/wfnbbs/viewtopic.php?pid=5272#p5272 No. The ESP code in current version of Multiwfn is much faster than orca_plot, see comparison of speed (Table 1): Phys. Chem. Chem. Phys., 23, 20323–20328 (2021)

]]> Fri, 05 Sep 2025 10:18:50 +0000 http://sobereva.com/wfnbbs/viewtopic.php?pid=5272#p5272 <![CDATA[Using ORCA to speed up ESP calculations like with Gaussian]]> http://sobereva.com/wfnbbs/viewtopic.php?pid=5271#p5271 Hello,

I've seen that in the ORCA 6.1.0 release notes they mention "Electrostatic potentials: automatic ESPs via orca_plot". Could this be used to speed up ESP calculation in multiwfn like it's already implemented for gaussian?

]]> Fri, 05 Sep 2025 09:54:02 +0000 http://sobereva.com/wfnbbs/viewtopic.php?pid=5271#p5271