Traceback (most recent call last): File "/app/nomad/processing/data.py", line 460, in parsing self._parser_results, logger=logger) File "/usr/local/lib/python3.7/site-packages/octopusparser/octopus_parser.py", line 886, in parse self.parse_system() File "/usr/local/lib/python3.7/site-packages/octopusparser/octopus_parser.py", line 766, in parse_system coordinates = np.dot(coordinates, cell.magnitude) File "<__array_function__ internals>", line 6, in dotValueError: shapes (8,3) and (1,3) not aligned: 3 (dim 1) != 1 (dim 0)
Traceback (most recent call last): File "/app/nomad/processing/data.py", line 460, in parsing self._parser_results, logger=logger) File "/usr/local/lib/python3.7/site-packages/octopusparser/octopus_parser.py", line 886, in parse self.parse_system() File "/usr/local/lib/python3.7/site-packages/octopusparser/octopus_parser.py", line 745, in parse_system symbols, coordinates = self.inp_parser.get_coordinates() File "/usr/local/lib/python3.7/site-packages/octopusparser/octopus_parser.py", line 253, in get_coordinates coordinates = np.array(coordinates, dtype=float)ValueError: setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (7,) + inhomogeneous part.
Traceback (most recent call last): File "/app/nomad/processing/data.py", line 460, in parsing self._parser_results, logger=logger) File "/usr/local/lib/python3.7/site-packages/octopusparser/octopus_parser.py", line 888, in parse self.parse_scc() File "/usr/local/lib/python3.7/site-packages/octopusparser/octopus_parser.py", line 712, in parse_scc kpts, eigs, occs = list(zip(*[e for e in eigenvalues.eigenvalues if e is not None]))TypeError: 'NoneType' object is not iterable