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Update pyscf/df/addons.py
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Co-authored-by: Susi Lehtola <[email protected]>
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sunqm and susilehtola authored Sep 4, 2024
1 parent 2dcac42 commit ffc36bd
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2 changes: 1 addition & 1 deletion pyscf/df/addons.py
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Expand Up @@ -102,7 +102,7 @@ def _aug_etb_element(nuc_charge, basis, beta):
if USE_VERSION_26_AUXBASIS:
# This is the method that version 2.6 (and earlier) generates auxiliary
# basis. It estimates the exponents ranges by geometric average.
# This method is not recommended because it tends to generate diffused
# This method is not recommended because it tends to generate diffuse
# functions. Important compact functions might be improperly excluded.
l_max = min(l_max, max_shells)
l_max_aux = l_max * 2
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