From 16a72f9e15870c58afb82f8d8b721f29f15e1e3b Mon Sep 17 00:00:00 2001
From: Fawzi Mohamed <fawzi.mohamed@fhi-berlin.mpg.de>
Date: Thu, 19 May 2016 23:42:59 +0200
Subject: [PATCH] fix for metainfo rename target_multiplicity
spin_target_multiplicity
---
parser/parser-gaussian/parser_gaussian.py | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/parser/parser-gaussian/parser_gaussian.py b/parser/parser-gaussian/parser_gaussian.py
index 1f8f051..e4ce3eb 100644
--- a/parser/parser-gaussian/parser_gaussian.py
+++ b/parser/parser-gaussian/parser_gaussian.py
@@ -45,7 +45,7 @@ mainFileDescription = SM(
subFlags = SM.SubFlags.Sequenced,
forwardMatch = True,
subMatchers = [
- SM(r"\s*Charge =\s*(?P<total_charge>[-+0-9]+) Multiplicity =\s*(?P<target_multiplicity>[0-9]+)"),
+ SM(r"\s*Charge =\s*(?P<total_charge>[-+0-9]+) Multiplicity =\s*(?P<spin_target_multiplicity>[0-9]+)"),
]
),
SM(name = 'geometry',
--
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