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fixed tests to work with dev version of triqs

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Alexander Hampel 2021-01-12 09:52:58 -05:00 committed by Nils Wentzell
parent 9b22859553
commit 342aa363d9
2 changed files with 7 additions and 6 deletions
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6
test/python/blockstructure.py
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@ -3,7 +3,7 @@ from triqs.utility.h5diff import h5diff, compare, failures
from triqs.gf import * from triqs.gf import *
from triqs.utility.comparison_tests import assert_block_gfs_are_close from triqs.utility.comparison_tests import assert_block_gfs_are_close
from scipy.linalg import expm from scipy.linalg import expm
from triqs_dft_tools.block_structure import BlockStructure from triqs_dft_tools.block_structure import BlockStructure, gf_struct_flatten
import numpy as np import numpy as np
@ -176,7 +176,9 @@ cmp(m2,
full = BlockStructure.full_structure( full = BlockStructure.full_structure(
[{'up_0': [0, 1], 'up_1': [0], 'down_1': [0], 'down_0': [0, 1]}], None) [{'up_0': [0, 1], 'up_1': [0], 'down_1': [0], 'down_0': [0, 1]}], None)
G_sumk = BlockGf(mesh=G1.mesh, gf_struct=original_bs.gf_struct_sumk[0]) print(original_bs.gf_struct_sumk[0])
print(gf_struct_flatten(original_bs.gf_struct_sumk[0]))
G_sumk = BlockGf(mesh=G1.mesh, gf_struct=gf_struct_flatten(original_bs.gf_struct_sumk[0]))
for i in range(3): for i in range(3):
G_sumk['up'][i, i] << SemiCircular(1 if i < 2 else 2) G_sumk['up'][i, i] << SemiCircular(1 if i < 2 else 2)
G_sumk['down'][i, i] << SemiCircular(4 if i < 2 else 3) G_sumk['down'][i, i] << SemiCircular(4 if i < 2 else 3)

7
test/python/srvo3_Gloc.py
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@ -36,12 +36,11 @@ SK=SumkDFT(hdf_file='SrVO3.ref.h5',use_dft_blocks=True)
num_orbitals = SK.corr_shells[0]['dim'] num_orbitals = SK.corr_shells[0]['dim']
l = SK.corr_shells[0]['l'] l = SK.corr_shells[0]['l']
spin_names = ['down','up'] spin_names = ['down','up']
orb_names = ['%s'%i for i in range(num_orbitals)]
orb_hybridized = False orb_hybridized = False
gf_struct = set_operator_structure(spin_names,orb_names,orb_hybridized) gf_struct = set_operator_structure(spin_names,num_orbitals,orb_hybridized)
glist = [ GfImFreq(indices=inner,beta=beta) for block,inner in gf_struct] glist = [ GfImFreq(target_shape=(bl_size,bl_size),beta=beta) for bl, bl_size in gf_struct]
Sigma_iw = BlockGf(name_list = [block for block,inner in gf_struct], block_list = glist, make_copies = False) Sigma_iw = BlockGf(name_list = [bl for bl, bl_size in gf_struct], block_list = glist, make_copies = False)
SK.set_Sigma([Sigma_iw]) SK.set_Sigma([Sigma_iw])
Gloc = SK.extract_G_loc() Gloc = SK.extract_G_loc()