Re: [Discus-talk] MAXQXY and difficulty changing the value

[Reinhard N. <ne...@kr...>]

Dear David,

please download the latest Version of DISCUS from discus.sourceforge.net
This version is much more flexible with respect to array sizes.

Regards

Reinhard Neder

Am 29.06.2013 00:42, schrieb David Jonathan Pryce Morris:
> I am using DISCUS 3.6.2 on Linux (Scientific Linux 6.3).
>
> I tried to run mod.3.mac from the Discus Cookbook macro/mod folder but
> keep getting the error
> 	"Too many points in reciprocal layer".
> This example wants to use 351*351 points. It would be useful in the
> future if I can use more pixels than this so looked into how to change
> it.
>
> I have tried to change the maximum number of pixels in the reciprocal
> space layer (MAXQXY) in config.inc and then recompile. I have even
> removed all previously compiled discus files and then recompiled. But
> still get the same error.
>
> Previously MAXQXY=301*301
> I've set this to MAXQXY=501*501
>
> When I use the Linux command
> 	grep "MAXQXY=" *
> to find if there is another file that could be overwriting my setting of
> MAXQXY the only files that define this value are config.inc,
> config,reinhard and config.thomas. Neither of the last two are called in
> fourier.f.
>
> I have tried entering 501*501 directly into line 421 of fourier.f
> 	if(inc(1)*inc(2).le.MAXQXY) then
> then recompiling but that still only gave 90601 when I typed "show
> config".
>
> I compile by creating the DiffuseBuild folder then running INST_unix
> which I have not changed from the downloaded version. My fortran
> compiler is gfortran.
>
> Is there another trick to getting my value of MAXQXY to be accepted as
> the maximum number of pixels in the Q-layer?
>
> Best wishes,
> Jonathan
>
>
> ------------------------------------------------------------------------------
> This SF.net email is sponsored by Windows:
>
> Build for Windows Store.
>
> http://p.sf.net/sfu/windows-dev2dev
> _______________________________________________
> Discus-talk mailing list
> Dis...@li...
> https://lists.sourceforge.net/lists/listinfo/discus-talk


-- 
Prof. Dr. Reinhard Neder
Kristallographie und Strukturphysik
Universität Erlangen
Staudtststr. 3; 91058 Erlangen
tel. +49-9131-8525191
fax  +49-9131-8525182