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[refactor] simplify put_sigma remove unused vars

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the-hampel 2025-03-03 14:46:12 +01:00
parent 3c2821fd85
commit 56501b05c5
1 changed files with 1 additions and 3 deletions
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python/triqs_dft_tools/sumk_dft.py
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@ -649,19 +649,17 @@ class SumkDFT(object):
# Imaginary frequency Sigma: # Imaginary frequency Sigma:
self.Sigma_imp = [self.block_structure.create_gf(ish=icrsh, mesh=Sigma_imp[icrsh].mesh, space='sumk') self.Sigma_imp = [self.block_structure.create_gf(ish=icrsh, mesh=Sigma_imp[icrsh].mesh, space='sumk')
for icrsh in range(self.n_corr_shells)] for icrsh in range(self.n_corr_shells)]
SK_Sigma_imp = self.Sigma_imp
elif isinstance(self.mesh, MeshReFreq) and all(isinstance(gf, Gf) and isinstance(gf.mesh, MeshReFreq) and gf.mesh == self.mesh for bname, gf in Sigma_imp[0]): elif isinstance(self.mesh, MeshReFreq) and all(isinstance(gf, Gf) and isinstance(gf.mesh, MeshReFreq) and gf.mesh == self.mesh for bname, gf in Sigma_imp[0]):
# Real frequency Sigma: # Real frequency Sigma:
self.Sigma_imp = [self.block_structure.create_gf(ish=icrsh, mesh=Sigma_imp[icrsh].mesh, gf_function=Gf, space='sumk') self.Sigma_imp = [self.block_structure.create_gf(ish=icrsh, mesh=Sigma_imp[icrsh].mesh, gf_function=Gf, space='sumk')
for icrsh in range(self.n_corr_shells)] for icrsh in range(self.n_corr_shells)]
SK_Sigma_imp = self.Sigma_imp
else: else:
raise ValueError("put_Sigma: Sigma_imp must have the same mesh as SumKDFT.mesh.") raise ValueError("put_Sigma: Sigma_imp must have the same mesh as SumKDFT.mesh.")
# rotation from local to global coordinate system: # rotation from local to global coordinate system:
for icrsh in range(self.n_corr_shells): for icrsh in range(self.n_corr_shells):
for bname, gf in SK_Sigma_imp[icrsh]: for bname, gf in self.Sigma_imp[icrsh]:
if self.use_rotations: if self.use_rotations:
gf << self.rotloc(icrsh, gf << self.rotloc(icrsh,
Sigma_imp[icrsh][bname], Sigma_imp[icrsh][bname],