[ase-users] Analysis.py

[Gaël Donval]

Hi,

> Hi ,
> 
> I am a new user,
> 
> I have a question regarding the function  all_angles(self)  
> Up to which cutoff radius the angles within atoms are evaluated and how to
> modify it.

That depends on how you build your Analysis object. 

If you provide a neighbourlist (already build with a cutoff, etc.), it is giving
all angles between all neighbour triplets. 

If it is given nothing but atoms, Analysis builds its own internal
neighbourlist. In that case, any extra parameter to Analysis will be forwarded
to the neighbourlist builder, so you can directly use e.g. `cutoffs=` in there
to set a custom radius.

The relevant documentation is here:
https://wiki.fysik.dtu.dk/ase/ase/geometry.html#ase.geometry.analysis.Analysis

Cheers,
Gaël

> 
> Best Regards,
> Linda


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