Pair distance list

[Robert Koch]

Hi Everyone,

I was wondering if the engine stored somewhere a list of all relevant pair distances? I suppose for a large super-cell this would become massive, but I would also guess it's necessary to compute the PDF histograms?

I ask because this information would be useful for post-processing. I can recompute it, but if it's already been done and written somewhere, it would save time.

Thanks!

Rob

[Bachir Aoun]

Hi Robert,

There is no storing for distances there might be a time benefit doing that but the array size will get out of hand quickly as a factor of number of atoms to the power 2

thanks