diff --git a/parser/parser-gulp/main.py b/parser/parser-gulp/main.py index 9de51414973e4837068452ea37335cce73353b03..1ef1b63ceaaacaab3fd606c715243d3ebca6e19c 100644 --- a/parser/parser-gulp/main.py +++ b/parser/parser-gulp/main.py @@ -380,8 +380,8 @@ def get_optimise_sm(): # No. Atomic x y z Radius # Label (Frac) (Frac) (Frac) (Angs) #-------------------------------------------------------------------------------- - # 1 La c 0.333333 0.666667 0.248457 0.000000 - # 2 O c 0.000000 0.000000 0.000000 0.000000 + # 1 La c 0.333 0.666 0.248 0.000 + # 2 O c 0.000 0.000 0.000 0.000 r'\s*\d+\s*(\S+)\s*(\S+)\s*(\S+)\s*(\S+)\s*(\S+)\s*(\S+)', r'^$') ]),