Comments for Mathematica – Stack Exchange Blog

Comment on Turning up the Heat Maps by mikeagibson

mikeagibson — Tue, 24 Mar 2015 15:38:25 +0000

FYI, it seems that the column order for the clustering is opposite the column ordering for the heat map.

Comment on Build Your Own Logo with Mathematica (and a Few Friends) by user11225

user11225 — Fri, 13 Mar 2015 07:01:37 +0000

I would appreciate you if you could help me to make a plot of Optical-Vortex by using the Laguerre-Gaussian formula.......

Comment on Plotting electronic orbitals using Mathematica by William Duhe

William Duhe — Sat, 12 Jul 2014 16:23:55 +0000

How would I go about counting the amount of lobes in the graphics you produce? Also perhaps the average size of the lobes / the localization of the lobes?

Thanks ahead of time.

Best wishes, Duhe

Comment on Plotting electronic orbitals using Mathematica by max

max — Wed, 15 Jan 2014 18:08:46 +0000

Thanks Jason. Good basis for a tool I'm writing.

Comment on Plotting electronic orbitals using Mathematica by Jason B

Jason B — Wed, 09 Oct 2013 23:28:03 +0000

Thanks for the help Alexey. I edited the post to be more clear.

Comment on Plotting electronic orbitals using Mathematica by Alexey Popkov

Alexey Popkov — Fri, 04 Oct 2013 07:57:07 +0000

Thank you, now it works. Very impressive! BTW, the file should be placed somewhere in $Path and $UserBaseDirectory with $BaseDirectory by default are not included in $Path. By default $HomeDirectory is included, so it would be better to recommend users to place the file in this directory.

Comment on Plotting electronic orbitals using Mathematica by Jason B

Jason B — Mon, 30 Sep 2013 03:22:55 +0000

Alexey, my apologies. The blog here keeps renaming my gzip archive, which then somehow renames the file inside the archive. So basically the extracted file doesn't have the right filename. I'm very unfamiliar with the gzip format. I first tried to just upload the cube file in its uncompressed form, but the site has a size limit on uploads.

So I just fixed the link so that it points directly to the .cube file in my Dropbox folder. Let me know if you can make it work now.

Comment on Plotting electronic orbitals using Mathematica by Alexey Popkov

Alexey Popkov — Sun, 29 Sep 2013 15:55:38 +0000

I tried to import the "cys-MO35cube" file extracted from the archive and placed in $UserBaseDirectory using the {cubedata,xg,yg,zg,xyz,header}= ReadCube["cys-MO35.cube"]; command and {cubedata,xg,yg,zg,xyz,header}= ReadCube["cys-MO35cube"]; command but it fails. I am using MMa 8.0.4 under Win 7 x64. How it is supposed to work?

Comment on Plotting electronic orbitals using Mathematica by Jason B

Jason B — Sat, 28 Sep 2013 19:32:51 +0000

To anyone trying to work the example, for now you have to extract the archive yoursef, as Mathematica won't extract it properly.

Comment on Plotting electronic orbitals using Mathematica by rcollyer

rcollyer — Fri, 27 Sep 2013 19:42:16 +0000

I never used Guassian, but Wien2k was my mainstay. I never considered posting the stuff I used for generating plots from it, though. Nice.