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Remove duplicated code
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sunqm committed Jun 20, 2024
1 parent 13efe88 commit ade9e06
Showing 1 changed file with 1 addition and 2 deletions.
3 changes: 1 addition & 2 deletions pyscf/hessian/rhf.py
Original file line number Diff line number Diff line change
Expand Up @@ -450,7 +450,7 @@ class HessianBase(lib.StreamObject):
level_shift = 0

_keys = {
'mol', 'base', 'chkfile', 'atmlst', 'de', 'max_cycle', 'level_shift'
'mol', 'base', 'atmlst', 'de', 'max_cycle', 'level_shift'
}

def __init__(self, scf_method):
Expand All @@ -459,7 +459,6 @@ def __init__(self, scf_method):
self.mol = scf_method.mol
self.base = scf_method
self.max_memory = self.mol.max_memory
self.base = scf_method
self.atmlst = range(self.mol.natm)
self.de = numpy.zeros((0,0,3,3)) # (A,B,dR_A,dR_B)

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