[Wien] Mini stop
Stefaan Cottenier
Stefaan.Cottenier at fys.kuleuven.ac.be
Tue Sep 21 12:49:35 CEST 2004
> Probably too stupid to help, but it happened to me once :
> a file .stop_mini or so that was left from a previous job, and
> instructed the min program to stop. A simple rm will do in that
> case.
It's so stupid that it happened to me as well, even more than once. I
don't know whether it is still the case in the newest version, but if
so, then I have this SUGGESTION FOR THE AUTHORS: when .stop is used,
it is removed automatically after the scf-cycle has stopped.
When .minstop is used, it stays there, even after the minimization
cycle has stopped. With obvious problems at a restart if one forgets
to remove it. Removing .minstop automatically would be better, I think.
Stefaan
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