Commit 187e9621 authored by Henning Glawe's avatar Henning Glawe
Browse files

rename xc_data_subtract to xc_data_remove

parent d2e26743
......@@ -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
......
Supports Markdown
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment