Dear Developers,
I am at my final year of PhD in computational chemistry at Imperial College
London. I am interested in taking part in the GSoC and I would like to work
on Avogardo because I think it is a great software.
My research is about photoemission simulations and think it would be
useful to add some features about surfaces in Avogadro. This would require
some more implementation about symmetry in order to create slabs from
primitive and conventional cells.
The symmetry part could also be used for manipulations on the bulk cell,
such as starting from the space group of the crystal, the position of atoms
and create a slab.
I have prior experience in c++, python and fortran. Also, I have a
background in computational crystallography having worked on codes for
periodic calculations (CRYSTAL and CASTEP).
Before submitting a proposal I would like to ask you if improving of the
slab generation part is something you would be interested in? If not are
there other aspects related to crystallography you were thinking of
implementing?
Kind Regards,
Bruno Camino
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