Re: making a fast projection of a crytsallographic unit cell

• To: mathgroup at smc.vnet.net
• Subject: [mg80891] Re: [mg80779] making a fast projection of a crytsallographic unit cell
• From: Curtis Osterhoudt <cfo at lanl.gov>
• Date: Wed, 5 Sep 2007 02:45:49 -0400 (EDT)
• Organization: LANL
• References: <200709010432.AAA26593@smc.twtelecom.net>

```Huh. I can't get past the first Show[Graphics3D... statement, because
Mathematica immediately segfaults. Anyone else have this problem?

This is on a fast machine, with 2GB RAM, and

In[1]:= \$Version

Out[1]= "6.0 for Linux x86 (32-bit) (June 19, 2007)"

On Friday 31 August 2007 22:32:47 Roger Bagula wrote:
> The problem is that I want to plot representations of crystallographic
> cells fast in Mathematica.
>
> The face centerd cubic unit cell can be represented in 3d as a set of
> points.
> Hermann-Mauguin space groupo notation: Fm3m
> Sodium Chloride and many metal crystals use this crystal cell.
> (* points for cubic close pack/ face centered cubic*)
> p = {{1, 1, 1}, {1, 0, 0}, {2, 1, 0}, {0, 0, 1}, {2, 2, 1}, {1, 2,
>    2}, {0, 1, 2}, {0, 1, 0}, {1, 2, 0}, {0, 2, 1}, {2, 0, 1}, {
>       2, 1, 2}, {1, 0, 2}};
> pieces =
>  Complement[
>   Flatten[Table[{i, j, k}, {i, 0, 2}, {j, 0, 2}, {k, 0, 2}],
>    2], p]
> (* showing as points*)
> Show[Graphics3D[Table[Point[pieces[[n]]], {
>       n, 1, Length[pieces]}]], Boxed -> False]
>
> (* creating the equivalent of a graphic primitive like a Cuboid[] for a
> sphere*)
>
> Clear[sphere]
> << RealTime3D`
> (* RealTime3D allows you to drag the graphic around to see from
> different view points*)
> sphere[n_]:=ParametricPlot3D[{Sin[t]*Sin[p]/2-pieces[[n]][[
>     1]],Cos[t]*Sin[p]/2-pieces[[n]][[2]],Cos[p]/2-pieces[[n]][[3]]},{t,-
>       Pi,Pi},{p,0,Pi},Axes\[Rule]False,Boxed\[Rule]False]
>
> (* plotting them at the points them at the points*)
> gr=Table[sphere[n],{n,1,Length[pieces]}];
>
> Show[gr]
>
> The problem isn't doing it, but doing it faster.
> There are 230 Federov space groups in 3d.
> Roger Bagula

--
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Curtis Osterhoudt
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```

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