Port to new Python interface for Gf

- Minor changes
- tests are ok

CMakeLists.txt

@@ -1,6 +1,6 @@
 # Version number of the application
-set (DFT_TOOLS_VERSION "1.4")
+set (DFT_TOOLS_VERSION "1.5")
-set (DFT_TOOLS_RELEASE "1.4.0")
+set (DFT_TOOLS_RELEASE "1.5.0")
 
 # Append triqs installed files to the cmake load path
 list(APPEND CMAKE_MODULE_PATH ${TRIQS_PATH}/share/triqs/cmake)

python/block_structure.py

@@ -1,6 +1,6 @@
 import copy
 import numpy as np
-from pytriqs.gf.local import GfImFreq, BlockGf
+from pytriqs.gf import GfImFreq, BlockGf
 from ast import literal_eval
 from warnings import warn
 

python/converters/plovasp/examples/ce/hf_solver.py

@@ -23,7 +23,7 @@
 from types import *
 #from pytriqs.applications.dft.U_matrix import *
 from U_matrix import *
-from pytriqs.gf.local import *
+from pytriqs.gf import *
 #from hubbard_I import gf_hi_fullu, sigma_atomic_fullu
 import pytriqs.utility.mpi as mpi
 from itertools import izip

python/converters/plovasp/examples/srvo3/conv_example.py

@@ -1,6 +1,6 @@
 
 import numpy as np
-from pytriqs.gf.local import *
+from pytriqs.gf import *
 #from sumk_dft import SumkDFT
 from sumk_dft_tools import SumkDFTTools
 from converters.vasp_converter import VaspConverter

python/sumk_dft.py

@@ -23,7 +23,7 @@
 from types import *
 import numpy
 import pytriqs.utility.dichotomy as dichotomy
-from pytriqs.gf.local import *
+from pytriqs.gf import *
 import pytriqs.utility.mpi as mpi
 from pytriqs.archive import *
 from symmetry import *
@@ -593,13 +593,13 @@ class SumkDFT(object):
             Sigma_imp) == self.n_inequiv_shells, "put_Sigma: give exactly one Sigma for each inequivalent corr. shell!"
 
         # init self.Sigma_imp_(i)w:
-        if all(type(gf) == GfImFreq for bname, gf in Sigma_imp[0]):
+        if all( (isinstance(gf, Gf) and isinstance (gf.mesh, MeshImFreq)) for bname, gf in Sigma_imp[0]):
             # Imaginary frequency Sigma:
             self.Sigma_imp_iw = [BlockGf(name_block_generator=[(block, GfImFreq(indices=inner, mesh=Sigma_imp[0].mesh))
                                                                for block, inner in self.gf_struct_sumk[icrsh]], make_copies=False)
                                  for icrsh in range(self.n_corr_shells)]
             SK_Sigma_imp = self.Sigma_imp_iw
-        elif all(type(gf) == GfReFreq for bname, gf in Sigma_imp[0]):
+        elif all( isinstance(gf, Gf) and isinstance (gf.mesh, MeshReFreq) for bname, gf in Sigma_imp[0]):
             # Real frequency Sigma:
             self.Sigma_imp_w = [BlockGf(name_block_generator=[(block, GfReFreq(indices=inner, mesh=Sigma_imp[0].mesh))
                                                               for block, inner in self.gf_struct_sumk[icrsh]], make_copies=False)

python/sumk_dft_tools.py

@@ -21,7 +21,7 @@
 import sys
 from types import *
 import numpy
-from pytriqs.gf.local import *
+from pytriqs.gf import *
 import pytriqs.utility.mpi as mpi
 from symmetry import *
 from sumk_dft import SumkDFT
@@ -767,8 +767,8 @@ class SumkDFTTools(SumkDFT):
                     self.Sigma_imp_w[icrsh] = BlockGf(
                         name_list=spn, block_list=glist(), make_copies=False)
                     for i, g in self.Sigma_imp_w[icrsh]:
-                        for iL in g.indices:
+                        for iL in g.indices[0]:
-                            for iR in g.indices:
+                            for iR in g.indices[0]:
                                 for iom in xrange(n_om):
                                     g.data[iom, int(iL), int(iR)] = Sigma_save[
                                         i].data[ioffset + iom, int(iL), int(iR)]

python/symmetry.py

@@ -23,7 +23,7 @@
 import copy
 import numpy
 from types import *
-from pytriqs.gf.local import *
+from pytriqs.gf import *
 from pytriqs.archive import *
 import pytriqs.utility.mpi as mpi
 

python/trans_basis.py

@@ -1,6 +1,6 @@
 from pytriqs.applications.dft.sumk_dft import *
 from pytriqs.applications.dft.converters import Wien2kConverter
-from pytriqs.gf.local import *
+from pytriqs.gf import *
 from pytriqs.archive import *
 import pytriqs.utility.mpi as mpi
 import numpy

test/blockstructure.py

@@ -1,6 +1,6 @@
 from pytriqs.applications.dft.sumk_dft import *
 from pytriqs.utility.h5diff import h5diff
-from pytriqs.gf.local import *
+from pytriqs.gf import *
 from pytriqs.utility.comparison_tests import assert_block_gfs_are_close
 from pytriqs.applications.dft import BlockStructure
 

test/sigma_from_file.py

@@ -20,8 +20,8 @@
 ################################################################################
 
 from pytriqs.archive import *
-from pytriqs.gf.local import *
+from pytriqs.gf import *
-from pytriqs.gf.local.tools import *
+from pytriqs.gf.tools import *
 from pytriqs.applications.dft.sumk_dft_tools import *
 from pytriqs.utility.comparison_tests import *
 import numpy as np

test/srvo3_Gloc.py

@@ -20,7 +20,7 @@
 ################################################################################
 
 from pytriqs.archive import *
-from pytriqs.gf.local import *
+from pytriqs.gf import *
 from pytriqs.applications.dft.sumk_dft import *
 from pytriqs.applications.dft.converters.wien2k_converter import *
 from pytriqs.operators.util import set_operator_structure