From 502706c25e9919f5803c4c68bfe6b50b1aa28724 Mon Sep 17 00:00:00 2001 From: "nathan.daelman@physik.hu-berlin.de" Date: Fri, 18 Aug 2023 17:09:22 +0200 Subject: [PATCH] Fix regex pattern to match ionic positionsin newer format --- electronicparsers/vasp/parser.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/electronicparsers/vasp/parser.py b/electronicparsers/vasp/parser.py index f2600775..ae96111d 100644 --- a/electronicparsers/vasp/parser.py +++ b/electronicparsers/vasp/parser.py @@ -310,7 +310,7 @@ def str_to_header(val_in): return dict(version=version, subversion=subversion, platform=platform, date=date, time=time) def str_to_positions(val_in): - re_position = re.compile(r'\d*\s*(\-*\d+\.\d+)\s*(\-*\d+\.\d+)\s*(\-*\d+\.\d+)') + re_position = re.compile(r'\d*\s*(\-?\d*\.\d+)\s*(\-?\d*\.\d+)\s*(\-?\d*\.\d+)') positions = [] for val in val_in.strip().split('\n'): position = re_position.search(val)