Exceptions in the new octopus parser
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64, parsers/octopus, tSjEeDGYQd-4vzQLQ70PXg:3D4vnkN0MgcWMEf_xarIIblsG8xX
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 dot
ValueError: shapes (8,3) and (1,3) not aligned: 3 (dim 1) != 1 (dim 0)
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2, parsers/octopus, oGjwMX6CQZSGZJnyEu3fxw:fYdEcq7Q83y9KfKvKGhQZWtBHo2h
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.
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2, parsers/octopus, aQ25NZB6T6GB9R-X9Sa8fA:MKLWkJcOe-JUT1l77qaZDUusFnSg
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
Edited by Alvin Noe Ladines