LCPQ/dft_tools
3
0
Fork 0
mirror of https://github.com/triqs/dft_tools synced 2024-09-01 08:43:41 +02:00
Code Issues Releases Wiki Activity

Merge pull request #176 from hschnait/3.0.x

Browse Source 
Bugfixes in blockstructure.py in case of n_corr_shells != n_inequiv_shells
This commit is contained in:
Alexander Hampel 2021-08-31 07:55:59 +02:00 committed by GitHub
commit e45001652f
No known key found for this signature in database
GPG Key ID: 4AEE18F83AFDEB23
1 changed files with 6 additions and 2 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

8
python/triqs_dft_tools/block_structure.py
View File

@ -416,8 +416,12 @@ class BlockStructure(object):
new_gf_struct[ish][block]=list of indices in that block. new_gf_struct[ish][block]=list of indices in that block.
""" """
assert len(self.gf_struct_solver) == len(new_gf_struct),\
"new_gf_struct has the wrong length"
for ish in range(len(self.gf_struct_solver)): for ish in range(len(self.gf_struct_solver)):
gf_struct = new_gf_struct[ish] gf_struct = new_gf_struct[ish].copy()
# create new solver_to_sumk # create new solver_to_sumk
so2su = {} so2su = {}
@ -507,7 +511,7 @@ class BlockStructure(object):
""" """
eff_trans_sumk = self.effective_transformation_sumk eff_trans_sumk = self.effective_transformation_sumk
assert len(eff_trans_sumk) == len(new_gf_struct),\ assert len(self.gf_struct_solver) == len(new_gf_struct),\
"new_gf_struct has the wrong length" "new_gf_struct has the wrong length"
new_gf_struct_transformed = copy.deepcopy(new_gf_struct) new_gf_struct_transformed = copy.deepcopy(new_gf_struct)