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Commit 187e9621 authored by Henning Glawe's avatar Henning Glawe
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rename xc_data_subtract to xc_data_remove

parent d2e26743
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...@@ -56,7 +56,7 @@ def translate_qe_xc_num(xc_functional_num, exact_exchange_fraction=None): ...@@ -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 # exchange/correlation functionals may be combined into _XC_, and we
# only want to emit such combinations once # only want to emit such combinations once
xc_data = {} xc_data = {}
xc_data_subtract = {} xc_data_remove = {}
xc_section_method = {} xc_section_method = {}
for component_i in range(6): for component_i in range(6):
this_xf_num = xf_num[component_i] this_xf_num = xf_num[component_i]
...@@ -81,8 +81,8 @@ def translate_qe_xc_num(xc_functional_num, exact_exchange_fraction=None): ...@@ -81,8 +81,8 @@ def translate_qe_xc_num(xc_functional_num, exact_exchange_fraction=None):
if 'xc_terms_subtract' in this_component: if 'xc_terms_subtract' in this_component:
for this_term in this_component['xc_terms_subtract']: for this_term in this_component['xc_terms_subtract']:
apply_term_add( apply_term_add(
xc_data_subtract, this_term, exact_exchange_fraction) xc_data_remove, this_term, exact_exchange_fraction)
apply_terms_subtract(xc_data, xc_data_subtract) apply_terms_subtract(xc_data, xc_data_remove)
apply_terms_filter(xc_data) apply_terms_filter(xc_data)
xc_functional = xc_functional_str(xc_data) xc_functional = xc_functional_str(xc_data)
xc_section_method['XC_functional'] = xc_functional xc_section_method['XC_functional'] = xc_functional
......
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