Re: [ESPResSo-users] RDF function in large systems

[Mikhail Stukan]

Thank you Axel!

This solves the problem.

Thanks and best regards,
Mikhail

On Sun, Feb 6, 2011 at 4:04 PM, Axel Arnold <address@hidden> wrote:
> On Saturday 05 February 2011, Mikhail Stukan wrote:
>> Dear all,
>>
>> I have a strange results for rdf function calculated in a relatively
>> large system (450000 particles). It has negative values (!) and looks
>> like a proper one but reflected into the negative semi plate. Do I
>> understand correctly that this is related to the large number of
>> particles and exceeding some integer/ long integer values ?
>
> All integers are so far 32 Bit, so that is in general possible. With 450,000
> particles the total count of samples is certainly too large. You can just
> change the variable cnt to long long in the calc_rdf function, that should fix
> it.
>
> Axel
>
> --
> JP Dr. Axel Arnold      Tel: +49 711 685 67609
> ICP, Universität Stuttgart      Email: address@hidden
> Pfaffenwaldring 27
> 70569 Stuttgart, Germany
>
>