Commit b0638bd7 authored by Mikkel Strange's avatar Mikkel Strange
Browse files

python3 and some polishing

parent 49f29713
......@@ -5,6 +5,7 @@ import numpy as np
from ase import units
from ase.data import chemical_symbols
from ase.io.aff import affopen
from ase.utils import basestring
#from ase.io.trajectory import read_atoms
from ase.data import atomic_masses
from ase.units import Rydberg
......@@ -154,7 +155,7 @@ def parse(filename):
p.addArrayValues('eigenvalues_occupation',
r.wave_functions.occupations)
#p.addArrayValues('eigenvalues_kpoints', r.IBZKPoints)
if hasattr(r.wave_functions, 'band_paths'): # could change in GPAW
if 'band_paths' in r.wave_functions: # could change
with o(p, 'section_k_band'):
for band_path in r.wave_functions.band_paths:
with o(p, 'section_k_band_segment'):
......
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