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Fix test
the testing threshold has to be more generous than the analyzing threshold
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@ -1029,6 +1029,10 @@ class SumkDFT(object):
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:class:`SumkDFT.block_structure <dft.block_structure.BlockStructure>`
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attribute.
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Due to the implementation and numerics, the maximum difference between
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two matrix elements that are detected as equal can be a bit higher
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(e.g. a factor of two) than the actual threshold.
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Parameters
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----------
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G : list of BlockGf of GfImFreq or GfImTime
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@ -166,7 +166,7 @@ for conjugate in conjugate_values:
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G_noisy['ud'][i:i+2,i:i+2] << G_noisy['ud'][i:i+2,i:i+2].transpose()
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# analyse the block structure
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G_new = SK.analyse_block_structure_from_gf(G)
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G_new = SK.analyse_block_structure_from_gf(G, 1.e-7)
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# transform G_noisy etc. to the new block structure
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G_noisy = SK.block_structure.convert_gf(G_noisy, block_structure1, beta = G_noisy.mesh.beta)
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@ -200,18 +200,20 @@ for conjugate in conjugate_values:
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normalized_gfs.append(normalized_gf)
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for i in range(len(normalized_gfs)):
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for j in range(i+1,len(normalized_gfs)):
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assert_gfs_are_close(normalized_gfs[i], normalized_gfs[j])
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# here, we use a threshold that is 1 order of magnitude less strict
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# because of numerics
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assert_gfs_are_close(normalized_gfs[i], normalized_gfs[j], 1.e-6)
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# now we check symm_deg_gf
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# symmetrizing the GF as is has to leave it unchanged
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# symmetrizing the GF has is has to leave it unchanged
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G_new_symm = G_new[0].copy()
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SK.symm_deg_gf(G_new_symm, 0)
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assert_block_gfs_are_close(G_new[0], G_new_symm)
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assert_block_gfs_are_close(G_new[0], G_new_symm, 1.e-6)
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# symmetrizing the noisy GF, which was carefully constructed,
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# has to give the same result as G_new[0]
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SK.symm_deg_gf(G_noisy, 0)
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assert_block_gfs_are_close(G_new[0], G_noisy)
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assert_block_gfs_are_close(G_new[0], G_noisy, 1.e-6)
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# check backward compatibility of symm_deg_gf
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# first, construct the old format of the deg shells
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@ -222,9 +224,9 @@ for conjugate in conjugate_values:
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# symmetrizing the GF as is has to leave it unchanged
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G_new_symm << G_pre_transform
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SK.symm_deg_gf(G_new_symm, 0)
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assert_block_gfs_are_close(G_new_symm, G_pre_transform)
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assert_block_gfs_are_close(G_new_symm, G_pre_transform, 1.e-6)
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# symmetrizing the noisy GF pre transform, which was carefully constructed,
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# has to give the same result as G_pre_transform
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SK.symm_deg_gf(G_noisy_pre_transform, 0)
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assert_block_gfs_are_close(G_noisy_pre_transform, G_pre_transform)
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assert_block_gfs_are_close(G_noisy_pre_transform, G_pre_transform, 1.e-6)
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