Commit b56ac6a3 authored by Ask Hjorth Larsen's avatar Ask Hjorth Larsen
Browse files

include new version of ase octopus parser because it is not out yet. This...

include new version of ase octopus parser because it is not out yet.  This fixes some Python3 compatibility issues and contains other improvements.
parent 7c534d7e
This diff is collapsed.
......@@ -5,7 +5,7 @@ from glob import glob
from contextlib import contextmanager
import numpy as np
import ase.calculators.octopus as aseoct
import aseoct
import setup_paths
from nomadcore.local_meta_info import loadJsonFile, InfoKindEl
......@@ -245,7 +245,7 @@ def parse(fname, fd):
register_units(kwargs, fd)
print('Read as ASE calculator', file=fd)
calc = aseoct.Octopus(dirname)
calc = aseoct.Octopus(dirname, check_keywords=False)
atoms = calc.get_atoms()
#with open_section('section_basis_set_cell_dependent'):
......
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