[ase-users] ASE trajectory from NEB question
Glen Jenness
glenjenness at gmail.com
Fri Sep 21 16:53:15 CEST 2012
Hi ASE users!
I was wondering if anyone knew if it was possible to extract the energies
from an ASE trajectory file? I ran a NEB calculation, and I'd like to get
the energies of each image if possible.
Thanks!
Glen
--
Dr. Glen Jenness
Schmidt Group
Department of Chemistry
University of Wisconsin - Madison
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