From b994cce6ab1c2a4e3b43df3500defa763169f15d Mon Sep 17 00:00:00 2001
From: Henning Glawe <glaweh@debian.org>
Date: Tue, 5 Dec 2017 23:22:59 +0100
Subject: [PATCH] make separator in xc string representation configurable
---
parser/parser-quantum-espresso/QuantumEspressoXC.py | 4 ++--
1 file changed, 2 insertions(+), 2 deletions(-)
diff --git a/parser/parser-quantum-espresso/QuantumEspressoXC.py b/parser/parser-quantum-espresso/QuantumEspressoXC.py
index 3cf916a..a64dff5 100644
--- a/parser/parser-quantum-espresso/QuantumEspressoXC.py
+++ b/parser/parser-quantum-espresso/QuantumEspressoXC.py
@@ -142,12 +142,12 @@ def apply_terms_filter(xc_data):
v.pop('exx_compute_weight', None)
-def xc_functional_str(xc_data):
+def xc_functional_str(xc_data, separator='+'):
result = ''
for k in sorted(xc_data.keys()):
v = xc_data[k]
if len(result) > 0 and v.get('XC_functional_weight', 1.0) > 0:
- result += '+'
+ result += separator
if v.get('XC_functional_weight', None) is not None:
result += '%.3f*' % (v['XC_functional_weight'])
result += v['XC_functional_name']
--
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