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https://github.com/triqs/dft_tools
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Adjust to nda/h5 changes in triqs pytriqs.archive -> h5
-pytriqs.archive.hdf_archive_schemes -> h5.formats
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@ -1,7 +1,7 @@
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from itertools import *
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from itertools import *
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import numpy as np
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import numpy as np
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import pytriqs.utility.mpi as mpi
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import pytriqs.utility.mpi as mpi
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from pytriqs.archive import *
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from h5 import *
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from pytriqs.gf import *
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from pytriqs.gf import *
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from triqs_dft_tools.sumk_dft import *
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from triqs_dft_tools.sumk_dft import *
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from triqs_dft_tools.sumk_dft_tools import *
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from triqs_dft_tools.sumk_dft_tools import *
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@ -1,6 +1,6 @@
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import pytriqs.utility.mpi as mpi
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import pytriqs.utility.mpi as mpi
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from pytriqs.operators.util import *
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from pytriqs.operators.util import *
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from pytriqs.archive import HDFArchive
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from h5 import HDFArchive
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from triqs_cthyb import *
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from triqs_cthyb import *
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from pytriqs.gf import *
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from pytriqs.gf import *
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from triqs_dft_tools.sumk_dft import *
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from triqs_dft_tools.sumk_dft import *
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@ -1,5 +1,5 @@
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from pytriqs.gf import *
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from pytriqs.gf import *
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from pytriqs.archive import *
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from h5 import *
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from triqs_maxent import *
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from triqs_maxent import *
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filename = 'nio'
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filename = 'nio'
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@ -1,7 +1,7 @@
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from itertools import *
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from itertools import *
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import numpy as np
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import numpy as np
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import pytriqs.utility.mpi as mpi
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import pytriqs.utility.mpi as mpi
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from pytriqs.archive import *
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from h5 import *
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from pytriqs.gf import *
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from pytriqs.gf import *
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import sys, pytriqs.version as triqs_version
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import sys, pytriqs.version as triqs_version
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from triqs_dft_tools.sumk_dft import *
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from triqs_dft_tools.sumk_dft import *
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@ -1,7 +1,7 @@
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from itertools import *
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from itertools import *
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import numpy as np
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import numpy as np
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import pytriqs.utility.mpi as mpi
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import pytriqs.utility.mpi as mpi
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from pytriqs.archive import *
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from h5 import *
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from pytriqs.gf import *
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from pytriqs.gf import *
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import sys, pytriqs.version as triqs_version
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import sys, pytriqs.version as triqs_version
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from triqs_dft_tools.sumk_dft import *
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from triqs_dft_tools.sumk_dft import *
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@ -467,5 +467,5 @@ class BlockStructure(object):
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s+=' '+key+'\n'
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s+=' '+key+'\n'
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return s
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return s
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from pytriqs.archive.hdf_archive_schemes import register_class
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from h5.formats import register_class
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register_class(BlockStructure)
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register_class(BlockStructure)
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@ -22,7 +22,7 @@
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from types import *
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from types import *
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import numpy
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import numpy
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from pytriqs.archive import *
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from h5 import *
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import pytriqs.utility.mpi as mpi
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import pytriqs.utility.mpi as mpi
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from math import sqrt
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from math import sqrt
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from .converter_tools import *
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from .converter_tools import *
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@ -153,7 +153,7 @@ def generate_plo(conf_pars, el_struct):
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if conf_pars.general['hk']:
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if conf_pars.general['hk']:
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pgroup.calc_hk(eigvals)
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pgroup.calc_hk(eigvals)
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#testout = 'hk.out.h5'
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#testout = 'hk.out.h5'
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#from pytriqs.archive import HDFArchive
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#from h5 import HDFArchive
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#with HDFArchive(testout, 'w') as h5test:
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#with HDFArchive(testout, 'w') as h5test:
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# h5test['hk'] = pgroup.hk
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# h5test['hk'] = pgroup.hk
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# DEBUG output
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# DEBUG output
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@ -26,7 +26,7 @@
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from types import *
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from types import *
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import numpy
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import numpy
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from pytriqs.archive import *
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from h5 import *
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from .converter_tools import *
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from .converter_tools import *
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import os.path
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import os.path
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try:
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try:
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@ -47,7 +47,7 @@
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from types import *
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from types import *
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import numpy
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import numpy
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import math
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import math
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from pytriqs.archive import *
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from h5 import *
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from .converter_tools import *
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from .converter_tools import *
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from itertools import product
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from itertools import product
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import os.path
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import os.path
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@ -22,7 +22,7 @@
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from types import *
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from types import *
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import numpy
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import numpy
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from pytriqs.archive import *
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from h5 import *
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from .converter_tools import *
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from .converter_tools import *
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import os.path
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import os.path
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@ -26,7 +26,7 @@ import pytriqs.utility.dichotomy as dichotomy
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from pytriqs.gf import *
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from pytriqs.gf import *
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import pytriqs.utility.mpi as mpi
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import pytriqs.utility.mpi as mpi
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from pytriqs.utility.comparison_tests import assert_arrays_are_close
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from pytriqs.utility.comparison_tests import assert_arrays_are_close
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from pytriqs.archive import *
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from h5 import *
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from .symmetry import *
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from .symmetry import *
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from .block_structure import BlockStructure
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from .block_structure import BlockStructure
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from itertools import product
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from itertools import product
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@ -24,7 +24,7 @@ import copy
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import numpy
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import numpy
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from types import *
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from types import *
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from pytriqs.gf import *
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from pytriqs.gf import *
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from pytriqs.archive import *
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from h5 import *
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import pytriqs.utility.mpi as mpi
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import pytriqs.utility.mpi as mpi
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@ -1,7 +1,7 @@
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from triqs_dft_tools.sumk_dft import *
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from triqs_dft_tools.sumk_dft import *
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from triqs_dft_tools.converters import Wien2kConverter
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from triqs_dft_tools.converters import Wien2kConverter
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from pytriqs.gf import *
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from pytriqs.gf import *
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from pytriqs.archive import *
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from h5 import *
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import pytriqs.utility.mpi as mpi
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import pytriqs.utility.mpi as mpi
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import numpy
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import numpy
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import copy
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import copy
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@ -1,4 +1,4 @@
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from pytriqs.archive import HDFArchive
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from h5 import HDFArchive
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import h5py
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import h5py
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import sys
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import sys
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import numpy
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import numpy
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@ -3,7 +3,7 @@ from triqs_dft_tools.sumk_dft import SumkDFT
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from scipy.linalg import expm
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from scipy.linalg import expm
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import numpy as np
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import numpy as np
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from pytriqs.utility.comparison_tests import assert_gfs_are_close, assert_arrays_are_close, assert_block_gfs_are_close
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from pytriqs.utility.comparison_tests import assert_gfs_are_close, assert_arrays_are_close, assert_block_gfs_are_close
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from pytriqs.archive import *
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from h5 import *
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import itertools
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import itertools
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# The full test checks all different possible combinations of conjugated
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# The full test checks all different possible combinations of conjugated
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@ -21,7 +21,7 @@
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################################################################################
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################################################################################
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from pytriqs.archive import *
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from h5 import *
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from pytriqs.utility.h5diff import h5diff
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from pytriqs.utility.h5diff import h5diff
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import pytriqs.utility.mpi as mpi
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import pytriqs.utility.mpi as mpi
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@ -9,7 +9,7 @@ from triqs_dft_tools.converters.plovasp.elstruct import ElectronicStructure
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from triqs_dft_tools.converters.plovasp.inpconf import ConfigParameters
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from triqs_dft_tools.converters.plovasp.inpconf import ConfigParameters
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from triqs_dft_tools.converters.plovasp.proj_shell import ProjectorShell
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from triqs_dft_tools.converters.plovasp.proj_shell import ProjectorShell
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from triqs_dft_tools.converters.plovasp.proj_group import ProjectorGroup
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from triqs_dft_tools.converters.plovasp.proj_group import ProjectorGroup
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from pytriqs.archive import HDFArchive
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from h5 import HDFArchive
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import mytest
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import mytest
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################################################################################
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################################################################################
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@ -9,7 +9,7 @@ from triqs_dft_tools.converters.plovasp.elstruct import ElectronicStructure
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from triqs_dft_tools.converters.plovasp.inpconf import ConfigParameters
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from triqs_dft_tools.converters.plovasp.inpconf import ConfigParameters
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from triqs_dft_tools.converters.plovasp.proj_shell import ProjectorShell
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from triqs_dft_tools.converters.plovasp.proj_shell import ProjectorShell
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from triqs_dft_tools.converters.plovasp.proj_group import ProjectorGroup
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from triqs_dft_tools.converters.plovasp.proj_group import ProjectorGroup
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from pytriqs.archive import HDFArchive
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from h5 import HDFArchive
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import mytest
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import mytest
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################################################################################
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################################################################################
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from triqs_dft_tools.converters.plovasp.inpconf import ConfigParameters
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from triqs_dft_tools.converters.plovasp.inpconf import ConfigParameters
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from triqs_dft_tools.converters.plovasp.proj_shell import ProjectorShell
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from triqs_dft_tools.converters.plovasp.proj_shell import ProjectorShell
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from triqs_dft_tools.converters.plovasp.proj_group import ProjectorGroup
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from triqs_dft_tools.converters.plovasp.proj_group import ProjectorGroup
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from pytriqs.archive import HDFArchive
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from h5 import HDFArchive
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import mytest
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import mytest
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################################################################################
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################################################################################
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@ -19,7 +19,7 @@
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#
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#
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################################################################################
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################################################################################
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from pytriqs.archive import *
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from h5 import *
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from pytriqs.gf import *
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from pytriqs.gf import *
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from pytriqs.gf.tools import *
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from pytriqs.gf.tools import *
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from triqs_dft_tools.sumk_dft_tools import *
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from triqs_dft_tools.sumk_dft_tools import *
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@ -19,7 +19,7 @@
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#
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#
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################################################################################
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################################################################################
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from pytriqs.archive import *
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from h5 import *
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from pytriqs.gf import *
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from pytriqs.gf import *
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from triqs_dft_tools.sumk_dft import *
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from triqs_dft_tools.sumk_dft import *
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from triqs_dft_tools.converters.wien2k_converter import *
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from triqs_dft_tools.converters.wien2k_converter import *
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@ -20,7 +20,7 @@
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#
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#
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################################################################################
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################################################################################
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from pytriqs.archive import *
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from h5 import *
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from triqs_dft_tools.sumk_dft_tools import SumkDFTTools
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from triqs_dft_tools.sumk_dft_tools import SumkDFTTools
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import pytriqs.utility.mpi as mpi
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import pytriqs.utility.mpi as mpi
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from pytriqs.utility.comparison_tests import *
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from pytriqs.utility.comparison_tests import *
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from triqs_dft_tools.converters import *
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from triqs_dft_tools.converters import *
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from pytriqs.archive import *
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from h5 import *
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from pytriqs.utility.h5diff import h5diff
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from pytriqs.utility.h5diff import h5diff
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import pytriqs.utility.mpi as mpi
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import pytriqs.utility.mpi as mpi
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#
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#
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################################################################################
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################################################################################
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from pytriqs.archive import *
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from h5 import *
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from pytriqs.utility.comparison_tests import *
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from pytriqs.utility.comparison_tests import *
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from pytriqs.utility.h5diff import h5diff
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from pytriqs.utility.h5diff import h5diff
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import pytriqs.utility.mpi as mpi
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import pytriqs.utility.mpi as mpi
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