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Change "mol = self.mol" to "mol = ks.mol" in get_veff because "self" is undefined and the first positional argument of get_veff is "ks." Compare rks.py get_veff and dks.py get_veff functions.
jtkrogel
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Jan 29, 2026
updated test_accumulators to use gth-szv so that it's faster.
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Change "mol = self.mol" to "mol = ks.mol" in get_veff because "self" is undefined and the first positional argument of get_veff is "ks." Compare rks.py get_veff and dks.py get_veff functions.