[ase-users] Question regarding issue with reading files in ASE

Harry Thomas ThomasHN2 at cardiff.ac.uk
Fri Mar 12 12:13:52 CET 2021


Hi,

I've been having a problem recently, where attempting to read a trajectory file of the type "config.traj" reads the file as a dl_poly_4 configuration file instead of the stated file extension (trajectory format). Here, abbreviating "config.traj" to "conf.traj" fixes the issue, but ideally it would read the file extension.

I'm happy to fix this, but I'm unfamiliar with the ase.io.formats module so it would be helpful if someone could offer pointers about an effective way of going about doing this.

Kind regards, Harry.
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