[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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