[ase-users] bug report bravais.py

[Jakob Schiøtz]

Dear Kurt,

Thanks for finding this, it is indeed a bug.  I have fixed it in the SVN.

Best regards

Jakob


On 30 Mar, 2011, at 16:29, Kurt Lejaeghere wrote:

> Dear ASE mailing list users
> 
> The ASE user guide tells that it is possible to use both the element  
> names as the atomic numbers to build up a crystal. I found that this  
> was not true for the latter: apparently ASE cannot handle lists of  
> atomic numbers.
> 
> Changing isinstance(element, ...    to    isinstance(e, ...
> at line 213 of lattice/bravais.py appears to do the trick.
> 
> Is this indeed a bug, or was something on my computer not installed right?
> 
> Can this be fixed?
> 
> Kind regards
> 
> Kurt Lejaeghere
> Ghent University
> Belgium
> 
> 
> 
> 
> 
> _______________________________________________
> ase-users mailing list
> ase-users at listserv.fysik.dtu.dk
> https://listserv.fysik.dtu.dk/mailman/listinfo/ase-users

--
Jakob Schiøtz, Ph.D.
Associate professor (lektor)
Study leader, M.Sc. in Physics and Nanotechnology
(kandidatstudieleder, Fysik og Nanoteknologi)
CINF, Department of Physics
Technical University of Denmark
DK-2800 Kongens Lyngby, Denmark
http://www.cinf.dtu.dk/~schiotz/