From 187e9621d92e17b04fa1b4fee04dba2182cd1d63 Mon Sep 17 00:00:00 2001
From: Henning Glawe <glaweh@debian.org>
Date: Sun, 3 Dec 2017 20:43:29 +0100
Subject: [PATCH] rename xc_data_subtract to xc_data_remove
---
parser/parser-quantum-espresso/QuantumEspressoXC.py | 6 +++---
1 file changed, 3 insertions(+), 3 deletions(-)
diff --git a/parser/parser-quantum-espresso/QuantumEspressoXC.py b/parser/parser-quantum-espresso/QuantumEspressoXC.py
index b250567..457d219 100644
--- a/parser/parser-quantum-espresso/QuantumEspressoXC.py
+++ b/parser/parser-quantum-espresso/QuantumEspressoXC.py
@@ -56,7 +56,7 @@ def translate_qe_xc_num(xc_functional_num, exact_exchange_fraction=None):
# exchange/correlation functionals may be combined into _XC_, and we
# only want to emit such combinations once
xc_data = {}
- xc_data_subtract = {}
+ xc_data_remove = {}
xc_section_method = {}
for component_i in range(6):
this_xf_num = xf_num[component_i]
@@ -81,8 +81,8 @@ def translate_qe_xc_num(xc_functional_num, exact_exchange_fraction=None):
if 'xc_terms_subtract' in this_component:
for this_term in this_component['xc_terms_subtract']:
apply_term_add(
- xc_data_subtract, this_term, exact_exchange_fraction)
- apply_terms_subtract(xc_data, xc_data_subtract)
+ xc_data_remove, this_term, exact_exchange_fraction)
+ apply_terms_subtract(xc_data, xc_data_remove)
apply_terms_filter(xc_data)
xc_functional = xc_functional_str(xc_data)
xc_section_method['XC_functional'] = xc_functional
--
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