Search found 3 matches

by Frederic.Houlle
Tue Aug 22, 2017 4:00 pm
Forum: eOn
Topic: Problem with atom_list being frozen atoms or empty
Replies: 5
Views: 18822

Re: Problem with atom_list being frozen atoms or empty

Thanks for getting back to me on this. I see similar results, actually. I thought displace_atom_list=-1 in my config.ini was meant to center the epicenter on a specific atom in the configuration (as opposed to displace_random_weight), but I guess the 'random' from reported processes found actually r...
by Frederic.Houlle
Wed Aug 16, 2017 7:59 am
Forum: eOn
Topic: Problem with atom_list being frozen atoms or empty
Replies: 5
Views: 18822

Re: Problem with atom_list being frozen atoms or empty

Hi again, I logged back into my computer this morning, copied pos.con, config.ini and potfiles/ into a new folder - tried eon in there, and it worked. I suspect the problem was due to having other files in the folder whose name started with pos. Cleaning up my old folder also worked. Indirectly, you...
by Frederic.Houlle
Tue Aug 15, 2017 12:58 pm
Forum: eOn
Topic: Problem with atom_list being frozen atoms or empty
Replies: 5
Views: 18822

Problem with atom_list being frozen atoms or empty

Hi, I'm Frederic Houlle, a PhD student working at the University of Erlangen-Nuremberg, in Prof. Erik Bitzek's group - I hope this is the right place to post this. We're trying to use EON to find some vacancy migration processes at a grain boundary (GB) in Al, modeled with an lammps format embedded ...