[gmx-developers] Possible merge of common parts for sfactor.c and nsfactor.c

Alexey Shvetsov alexxy at omrb.pnpi.spb.ru
Mon Jul 16 09:37:35 CEST 2012

David van der Spoel писал 2012-07-16 09:51:
> On 2012-07-14 15:39, Alexey Shvetsov wrote:
>> Hi all!
>> There possible common parts in src/gmxlib/sfactor.c and
>> src/tools/nsfactor.c
>> src/tools/nsfactor.h (like reading sfactor.dat and nsfactor.dat and 
>> some
>> other possibilities
>> Are there any objections about merging this parts together?
> I don't think so. Obviously this can only be done in the master
> branch. Please take care that the scattering factors are different 
> for
> neutrons (nsfactor) and photons (how about including electrons too?).
> --
> David van der Spoel, Ph.D., Professor of Biology
> Dept. of Cell & Molec. Biol., Uppsala University.
> Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205.
> spoel at xray.bmc.uu.se    http://folding.bmc.uu.se

Yes. They are different. But we can add additional 2 fields to 
sfactor.dat for example.
Best Regards,
Alexey 'Alexxy' Shvetsov
Petersburg Nuclear Physics Institute, NRC Kurchatov Institute, 
Gatchina, Russia
Department of Molecular and Radiation Biophysics
Gentoo Team Ru
Gentoo Linux Dev
mailto:alexxyum at gmail.com
mailto:alexxy at gentoo.org
mailto:alexxy at omrb.pnpi.spb.ru

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