[ase-users] get energy from .traj

[Ask Hjorth Larsen]

Hi

2013/1/24 Niels Theis Bendtsen <ntben at fysik.dtu.dk>:
> Ok I have to be more detailed I guess. The thing is that I am running a Dacapo calculation but it failed the 1st geometry optimization run. The logfile from the geometry run was not saved.
> And I simply can't interpret the Dacapo txt output from the calculator.
>
> But it seems that I only need the first energy which should be stored in the traj file as it not empty.

Is the documentation on trajectories insufficient?

https://wiki.fysik.dtu.dk/ase/ase/trajectory.html

Regards
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