[Next-Generation Sequencing Book]
Discussion forums: Open Discussion

Expanded view | Monitor forum | Save place

Message

how do I add basis sets for calculation of energy
Submitted by steven burnett; posted on Tuesday, February 7, 2012
Hi, I have ghemical 2.99 2-1 installed for a class. Everyone else is using gauss view, and when I tried to follow along, I noticed that I was missing a log of basis sets. One of the 1st examples we wanted to find the energy for was methane, and we were using CI method, I could not find it in ghemical. Is there a more up to date library? or those methods currently installed are the only ones it will preform?



Post a followup to this message:
You have to be logged in to post a reply.
Thread view
how do I add basis sets for calculation of energy
Submitted by steven burnett; posted on Tuesday, February 7, 2012
Hi, I have ghemical 2.99 2-1 installed for a class. Everyone else is using gauss view, and when I tried to follow along, I noticed that I was missing a log of basis sets. One of the 1st examples we wanted to find the energy for was methane, and we were using CI method, I could not find it in ghemical. Is there a more up to date library? or those methods currently installed are the only ones it will preform?

© 1998-2025 Scilico, LLC. All rights reserved.