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bug: d*k methods for SOC/NC returned None
They should return NotImplemented to be more specific. Fixes #183. Signed-off-by: Nick Papior <[email protected]>
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sisl/physics/sparse.py

Lines changed: 8 additions & 4 deletions
Original file line numberDiff line numberDiff line change
@@ -622,8 +622,10 @@ def _reset(self):
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raise ValueError('Currently not implemented')
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self.Pk = self._Pk_non_colinear
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self.Sk = self._Sk_non_colinear
625-
self.dPk = None
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self.dSk = None
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self.dPk = NotImplemented
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self.dSk = NotImplemented
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self.ddPk = NotImplemented
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self.ddSk = NotImplemented
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elif self.spin.is_spinorbit:
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if self.spin.dkind == 'f':
@@ -647,8 +649,10 @@ def _reset(self):
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# The overlap is the same as non-collinear
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self.Pk = self._Pk_spin_orbit
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self.Sk = self._Sk_non_colinear
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self.dPk = None
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self.dSk = None
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self.dPk = NotImplemented
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self.dSk = NotImplemented
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self.ddPk = NotImplemented
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self.ddSk = NotImplemented
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if self.orthogonal:
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self.Sk = self._Sk_diagonal

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