I'm trying to run Ce-gamma_DOS.py in the doc folder of the git repository.
First, it crashes, because solver does not exist:
from pytriqs.applications.impurity_solvers.hubbard_I.solver import Solver
So I changed it to use the new hubbard solver:
from pytriqs.applications.impurity_solvers.hubbard_I.hubbard_solver import Solver
Next, it crashes, because of the line:
Converter.convert_par_proj_input()
The script continues after removing the underscore between par and proj:
Converter.convert_parproj_input()
The script again crashes, because it tries to call the old solver (old_solver.py):
S = Solver(Beta = Beta, Uint = Uint, JHund = JHund, l = l)
I changed it so that it calls the new hubbard solver (hubbard_solver.py) with
S = Solver(beta = Beta, l = l)
but it crashes with the error:
Traceback (most recent call last):
File "Ce-gamma_DOS.py", line 67, in
S.GF_realomega(ommin=ommin, ommax = ommax, N_om=N_om)
File "/home/username/TRIQS/build/INSTALL_DIR/lib/python2.7/dist-packages/pytriqs/applications/impurity_solvers/hubbard_I/hubbard_solver.py", line 185, in GF_realomega
gf,tail,self.atocc,self.atmag = gf_hi_fullu(e0f=self.ealmat, ur=self.ur, umn=self.umn, ujmn=self.ujmn,
AttributeError: Solver instance has no attribute 'ur'
To workaround this error, the following line was added to the script just before the S.GF_realomega function line:
S.solve(U_int = Uint, J_hund = JHund, verbosity = 1)
The script then crashed again, but after removing the line:
S.Sigma.save('S.Sigma')
and changing
SK.put_Sigma(Sigmaimp = [S.Sigma])
to
SK.put_Sigma([S.Sigma])
the script finally completes without an error.
Can a developer please verify what changes are needed and update the git repository accordingly? Thanks in advance.