[Pw_forum] Starting magnetization

[Álvaro Alves]

Hi Axel, thank you for information. Can I change this
value and recompile the program?

              Sincerely, Alvaro
--- Axel Kohlmeyer <akohlmey at cmm.chem.upenn.edu>
escreveu:

> On Thu, 15 May 2008, Álvaro Alves wrote:
> 
> AA> Hello everyone. Is there a limit to the
> definition of
> 
> hello alvaro,
> 
> AA> different atomic species for the same type
> atomic. For
> AA> example, N1 N2, N2, N4. I need this procedure
> for
> AA> several atomic type (N, O, C).
> 
> yes. the parameter ntypx determins the maximum
> number 
> of atom type entries. it is set in
> Modules/parameters.f90
> and the default value is 10.
> 
> cheers,
>    axel.
> 
> 
> AA> 
> AA>                    Sincerely, Alvaro
> AA> 
> AA> 
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> -- 
>
=======================================================================
> Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu  
> http://www.cmm.upenn.edu
>    Center for Molecular Modeling   --   University
> of Pennsylvania
> Department of Chemistry, 231 S.34th Street,
> Philadelphia, PA 19104-6323
> tel: 1-215-898-1582,  fax: 1-215-573-6233, 
> office-tel: 1-215-898-5425
>
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