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Make mu and total density real
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@ -1723,7 +1723,9 @@ class SumkDFT(object):
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dens = mpi.all_reduce(mpi.world, dens, lambda x, y: x + y)
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mpi.barrier()
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return dens
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if abs(dens.imag) > 1e-20:
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mpi.report("Warning: Imaginary part in density will be ignored ({})".format(str(abs(dens.imag))))
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return dens.real
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def set_mu(self, mu):
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r"""
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