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On Wednesday 18 February 2004 13:04, Miguel Howard wrote:
> Two items we need to discuss.
>
> 1. connected sets
> I now understand that I need to determine connected sets prior to shifting
> to the unit cell.
> This means that, in cases where the file
Egon,
Thanks for the discussion this morning ... it was very enlightening for me.
Two items we need to discuss.
1. connected sets
I now understand that I need to determine connected sets prior to shifting
to the unit cell.
This means that, in cases where the file does not contain bonding
infor
