LCPQ/dft_tools
3
0
Fork 0
mirror of https://github.com/triqs/dft_tools synced 2025-05-01 04:34:57 +02:00
Code Issues Releases Wiki Activity

[refactor] simplify put_sigma remove unused vars

Browse Source
This commit is contained in:
the-hampel 2025-03-03 14:46:12 +01:00
parent 3c2821fd85
commit 56501b05c5
1 changed files with 1 additions and 3 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

4
python/triqs_dft_tools/sumk_dft.py
View File

@ -649,19 +649,17 @@ class SumkDFT(object):
# Imaginary frequency Sigma:
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)]
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]):
# Real frequency Sigma:
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)]
SK_Sigma_imp = self.Sigma_imp
else:
raise ValueError("put_Sigma: Sigma_imp must have the same mesh as SumKDFT.mesh.")
# rotation from local to global coordinate system:
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:
gf << self.rotloc(icrsh,
Sigma_imp[icrsh][bname],