From 7703757dbca10475a805b568c0d2aba955e9eda2 Mon Sep 17 00:00:00 2001 From: lopa <pardini@physik.hu-berlin.de> Date: Wed, 25 Apr 2018 10:01:57 +0200 Subject: [PATCH] fixed problem with scala in input.xml --- parser/parser-elastic/elastic_parser_input_exciting.py | 7 +++++-- 1 file changed, 5 insertions(+), 2 deletions(-) diff --git a/parser/parser-elastic/elastic_parser_input_exciting.py b/parser/parser-elastic/elastic_parser_input_exciting.py index 63b69f0..78b4dd6 100644 --- a/parser/parser-elastic/elastic_parser_input_exciting.py +++ b/parser/parser-elastic/elastic_parser_input_exciting.py @@ -32,7 +32,7 @@ class InputHandler(xml.sax.handler.ContentHandler): self.atomCoorDummy = [] self.speciesfileDummy = '' self.speciesfile = [] - self.scale = 1 + self.scale = 1.0 self.cell = [] self.cellDummy = [] @@ -49,7 +49,10 @@ class InputHandler(xml.sax.handler.ContentHandler): def startElement(self, name, attrs): self.CurrentData = name if name == "crystal": - self.scale = float(attrs.getValue('scale')) + try: + self.scale = float(attrs.getValue('scale')) + except: + self.scale = 1.0 elif name == 'species': self.speciesfileDummy = attrs.getValue('speciesfile')[:-4] elif name == 'atom': -- GitLab