[ase-users] New ase trajectory module doesn't attach vasp calculator to atoms

Prateek Mehta pmehta1 at nd.edu
Wed Apr 1 00:15:59 CEST 2015


Hi,

I came across this issue trying to use ase-gui to view graphs of the energy
for trajectories written by the xdat2traj function in the vasp calculator.

It does not look like the calculator gets attached to the atoms in the
trajectory. The calculator used to be attached till svn revision 4193.

Thanks,

Prateek
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