tag:blogger.com,1999:blog-3629903933643689748.post2655951961361041642..comments2024-01-24T09:45:38.370+01:00Comments on Science. Shared. Data.: Generate CUBE files in GAMESSAnonymoushttp://www.blogger.com/profile/10508646868117037632noreply@blogger.comBlogger2125tag:blogger.com,1999:blog-3629903933643689748.post-24907818302123553602021-11-14T09:43:00.071+01:002021-11-14T09:43:00.071+01:00Thanks for making the honest attempt to speak abou...Thanks for making the honest attempt to speak about this. I believe very robust approximately it and want to read more. If it’s OK, as you gain more in depth wisdom, would you thoughts adding extra articles similar to this one with additional information? It might be extremely useful and useful for me and my friends. <a href="http://www.orangepi.org/orangepibbsen/forum.php?mod=viewthread&tid=5999" rel="nofollow">data science from scratch</a><br />abdul quddoshttps://www.blogger.com/profile/04841832833907550885noreply@blogger.comtag:blogger.com,1999:blog-3629903933643689748.post-89062812048582321322021-03-09T19:45:04.879+01:002021-03-09T19:45:04.879+01:00Thanks for posting this. I realise it is a fairly ...Thanks for posting this. I realise it is a fairly old post, but can I ask why have you define a grid in this way? How did you pick the origin and extent of the grid? Looking at your molecule it would seem that you could for example have set the origin at say (0, 0, 1) and the XVEC (-4, 0, 0) YVEC (0, 3, 0) and ZVEC (0, 0, -2) This should cover your molecules using far fewer points. Have I missed something about how you set up these grids? Anonymoushttps://www.blogger.com/profile/00442428842452024841noreply@blogger.com