CCL: MOs in top_grid
- From: "Cristina Ramirez" <farmramirez ~
yahoo.com.ar>
- Subject: CCL: MOs in top_grid
- Date: Fri, 30 Mar 2012 09:08:48 -0400
Sent to CCL by: "Cristina Ramirez" [farmramirez-#-yahoo.com.ar]
Good morning. I'm using Topmod to calculate the ELF, and at the
"top_grid" step I get this message: "number of molecular orbitals
too large. set maxorb to 389 and recompile".
389 is my system's number of MOs.
Can anyone tell me where should I change this maxorb comand? It's not on the
makefile or the runtest file.
Thank you very much for any help.
Cristina
farmramirez__yahoo.com.ar