From 8086a2af0b6628eada0f7f37a9a93d349026426d Mon Sep 17 00:00:00 2001 From: lopa <pardini@physik.hu-berlin.de> Date: Tue, 9 Jan 2018 14:36:09 +0100 Subject: [PATCH] added configuration_periodic_dimensions --- parser/parser-wien2k/wien2k_parser.py | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/parser/parser-wien2k/wien2k_parser.py b/parser/parser-wien2k/wien2k_parser.py index 158ac21..03a73ff 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): -- GitLab