mirror of https://github.com/triqs/dft_tools
Make mu and total density real
This commit is contained in:
parent
1ececb7a4b
commit
9839dcdf9e
|
@ -1723,7 +1723,9 @@ class SumkDFT(object):
|
|||
dens = mpi.all_reduce(mpi.world, dens, lambda x, y: x + y)
|
||||
mpi.barrier()
|
||||
|
||||
return dens
|
||||
if abs(dens.imag) > 1e-20:
|
||||
mpi.report("Warning: Imaginary part in density will be ignored ({})".format(str(abs(dens.imag))))
|
||||
return dens.real
|
||||
|
||||
def set_mu(self, mu):
|
||||
r"""
|
||||
|
|
Loading…
Reference in New Issue