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From: Éric G. <ger...@zo...> - 2013-03-08 22:04:09
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Hey Jonathan,
I used to use the 4.1 release and what you are looking for is located in
the file *config.inc*.
Here is what I have:
/c MAXSCAT : Maximum number of different atomtypes//
//c *NMAX : Maximum number of atoms*//
//c MAXAT_CELL : Maximum number of atoms per unit cell//
//c//
// integer*4 MAXSCAT,NMAX,MAXAT_CELL//
//c//
// parameter (*NMAX = 3500000*)//
// parameter (MAXSCAT = 25)//
// parameter (MAXAT_CELL = 200)//
//c/
Hope it helps,
Éric.
On 03/09/2013 03:34 AM, David Jonathan Pryce MORRIS wrote:
> Hi,
>
> I want to change the maximum number of atoms in Discus 3.6.
>
> In the User Guide (Error -10, page 211) it says to change the variable
> MAXATOMS in crystal.inc and then recompile. I have searched for a file
> called crystal.inc in my installation and cannot find it.
>
> User guides for an earlier version (Discus 3.4) said that the maximum
> number of atoms was set in a file called param.inc. I cannot find a
> file with that name either.
>
> I have tried to change MAXATOMS by entering
> variables int,MAXATOMS,1000000
> checking the settings with show config shows that the number has not
> changed. Neither does the number change if I restart Discus after
> using variables in this way.
>
> Can anyone suggest a way of doing this?
>
> Thanks,
> Jonathan Morris
>
>
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--
/Be the change you wish to see in the world
/ --- Mahatma Gandhi ---
Éric Germaneau <http://www.linkedin.com/pub/%C3%A9ric-germaneau/30/931/986>
University of Chinese Academy of Sciences
College of Physical Sciences
Yuquan Road 19A
Beijing 100049
China
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