[ase-users] extxyz properties

James Kermode james.kermode at gmail.com
Tue Feb 18 22:07:55 CET 2020


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> 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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