Per-Ola Norrby
Per-Ola Norrby
The only thing that would worry me in this case is if there is an old log file from a previous iteration around, that got used instead of the one...
Yes. It's not thinking, it's remembering (I've done sooo many mistakes in this field...)
I think I answered mopst of this in another issue. If you get a Hessina from archive or formchk, or jaguar .01.in, do mass weighting of the Hessian. If you...
I don't remember, and don't have time to check right now, but I think there was a difference between Jaguar and Gaussian eigenvectors, maybe the former needed mass-weighting... It rings...