diff --git a/parser/parser-wien2k/wien2k_parser.py b/parser/parser-wien2k/wien2k_parser.py index 158ac21c648dcfada233a25db662bda4ca2eaffd..03a73ffabcd70e155f16a0dfac372ef66490135b 100644 --- a/parser/parser-wien2k/wien2k_parser.py +++ b/parser/parser-wien2k/wien2k_parser.py @@ -1,5 +1,6 @@ from builtins import object import setup_paths +import numpy as np from nomadcore.simple_parser import mainFunction, AncillaryParser, CachingLevel from nomadcore.simple_parser import SimpleMatcher as SM from nomadcore.local_meta_info import loadJsonFile, InfoKindEl @@ -178,7 +179,7 @@ class Wien2kContext(object): with open(fName) as fIn: structParser.parseFile(fIn) - + backend.addArrayValues('configuration_periodic_dimensions', np.asarray([True, True, True])) def onClose_section_scf_iteration(self, backend, gIndex, section):