[gpaw-users] Charged setups

[Michael Walter]

Dear all,

we are interested to implement charged setups.
It is not clear to us, where to put this as there are two generators (in
generator.py and generator2.py). The tests are not decisive in this respect
either:

gpaw/tests$ grep 'from gpaw.atom.generator' */*.py
corehole/test_h2o.py:from gpaw.atom.generator2 import generate
gllb/test_ne.py:from gpaw.atom.generator import Generator
gllb/test_ne_disc.py:from gpaw.atom.generator import Generator
setups/lithium.py:from gpaw.atom.generator2 import generate
zlow/test_lb94.py:from gpaw.atom.generator import Generator

Could someone clarify, please?

Best,
Michael

-- 
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PD Dr Michael Walter
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email: Michael.Walter at fmf.uni-freiburg.de
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