<![CDATA[Multiwfn forum / gradient paths of laplacian]]> //www.umsyar.com/wfnbbs/viewtopic.php?id=181 The most recent posts in gradient paths of laplacian. Wed, 17 Apr 2019 09:48:51 +0000 FluxBB <![CDATA[Re: gradient paths of laplacian]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=549#p549

Under the default setting, the maximal length of path is already long enough. If you want to decrease the maximal length, you should use less number of points.
PS: If the number of points is not adequately large to make a path reach a CP, then the path generation will be failed, and the path will not be shown.

dummy@example.com (sobereva) Wed, 17 Apr 2019 09:48:51 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=549#p549
<![CDATA[Re: gradient paths of laplacian]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=548#p548

I have change the parameter up to 5000 points, and the result seems to be the same

dummy@example.com (asenruhup@hotmail.com) Wed, 17 Apr 2019 08:46:56 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=548#p548
<![CDATA[Re: gradient paths of laplacian]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=547#p547

In the topology analysis module, there is an option "-2 Set path generating parameters", in which you can modify "1 Maximum number of points of a path". This parameter controls the maximal length of any kind of path.

dummy@example.com (sobereva) Tue, 16 Apr 2019 02:58:20 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=547#p547
<![CDATA[Re: gradient paths of laplacian]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=546#p546

No, I mean in a 3D plot with gradient lines of lap that go up to infinity
gradientlap.png

dummy@example.com (asenruhup@hotmail.com) Mon, 15 Apr 2019 17:59:47 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=546#p546
<![CDATA[Re: gradient paths of laplacian]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=545#p545

Do you mean you want to plot a plane map of Laplacian of electron density, in which the gradient lines emit from (3,-1) CP of Laplacian of electron density?

dummy@example.com (sobereva) Sun, 14 Apr 2019 16:59:29 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=545#p545
<![CDATA[gradient paths of laplacian]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=544#p544

Could it be possible to draw the gradient paths of laplacian up to a distance from the CP (where usually ends up)

dummy@example.com (asenruhup@hotmail.com) Sun, 14 Apr 2019 09:12:07 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=544#p544
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