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multispecies_basisextension.py: generate_functions_ext - strip keyword
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src/pyace/multispecies_basisextension.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -450,7 +450,7 @@ def generate_functions_ext(potential_config):
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for key in generate_species_keys(elements, r=nary_val):
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functions_ext[key].update(functions[nary_key])
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for k in functions:
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if k not in KEYWORDS:
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if k.strip() not in KEYWORDS:
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if isinstance(k, str): # single species string
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key = tuple(element_patt.findall(k))
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else:

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