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Hi @kkang14 the trajectory file has the ASE format.https://wiki.fysik.dtu.dk/ase/ase/io/trajectory.html#examples |
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Dear developers,
Hope all goes well and thank you for a nice interatomic potential code.
I have an inquiry about the trajectory file.
I want to extract the force and energy in every step from the molecular dynamics.
But it seems the trajectory file is encoded.
How can I access the data?
Thank you!
Yours sincerely,
Kisung Kang
Postdoctoral researcher
Fritz-Haber-Institut der Max-Planck-Gesellschaft
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