[ase-users] extxyz properties

[Jonatan Öström]

Great thank you James!

________________________________
From: James Kermode <james.kermode at gmail.com>
Sent: Tuesday, February 18, 2020 10:07:55 PM
To: Jonatan Öström
Cc: ASE List
Subject: Re: [ase-users] extxyz properties

atoms.arrays is the place to look!

James.

On 18 Feb 2020, at 18:12, Jonatan Öström via ase-users <ase-users at listserv.fysik.dtu.dk<mailto:ase-users at listserv.fysik.dtu.dk>> wrote:

Hi!
I am reading an extended xyz-file containing atomic forces and having the properties string "Properties=species:S:1:pos:R:3:force_dft:R:3". How do I access the forces? I assumed atoms.properties["force_dtf"] would work but there is no properties attribute.

Best regards



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