Re: Atoms

[Gilles Hug <gilles.hug@onera.fr>]

> Gilles asked:
>
>
>  GH> Does it mean that the 244 version I'm using is not valid too ?
>
> It's not invalid, per se.  But it is old, unsupported, and not under
> development; and it contains known bugs.
>
>  GH> BTW, one little thing I came across using a text editor is to use
>  GH> two different potentials for an element on different
>  GH> crsytallographic sites. Is that automatic in 2.5 ?
>
> No, in that regard 2.5 is the same as 2.44.  But a choice of three
> different schemes for assigning unique potentials *is* a feature of
> 3.0,

WhatAFun! That's why I deeply need Atoms3.0. Thanks Bruce for developping it!

>  which is new, supported, and under-development.  (Sadly, it also
> contains known bugs, but that's life in the software development
> biz. ;-)

That's what keeps you walking and awake! :)

Best regards,
Gilles