def reindex(self, new_idx: Sequence[Sequence[int]], inplace: bool = False):
if inplace:
self.coeff = [
coeff[:, idx] for idx, coeff in zip(new_idx, self.coeff)
]
self.energy = _reindex(self.energy, new_idx)
self.idx = _reindex(self.idx, new_idx)
self.occ = _reindex(self.occ, new_idx)
else:
new = self.copy()
new.reindex(new_idx, inplace=True)
return new
def reindex(self,
new_idx: Sequence[Sequence[int]], inplace: bool=False):
if inplace:
self.coeff = {
spin:
[coeff[:, idx] for idx, coeff in zip(new_idx, spin_values)]
for spin, spin_values in self.coeff.items()}
self.energy = _spin_reindex(self.energy, new_idx)
self.idx = _reindex(self.idx, new_idx)
self.occ = _spin_reindex(self.occ, new_idx)
else:
new = self.copy()
new.reindex(new_idx, inplace=True)
return new