[ase-users] bug report bravais.py

Kurt Lejaeghere Kurt.Lejaeghere at UGent.be
Wed Mar 30 16:29:19 CEST 2011


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








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