Commit 0cfce6d0 by Francois Gygi

Fix calc of wavefunction entropy

parent fce4c781
......@@ -207,7 +207,9 @@ double Wavefunction::entropy(void) const
sum += weight_[ikp] * sd(isp_loc,ikp_loc)->entropy(nspin_);
}
}
return sum;
double tsum;
MPI_Allreduce(&sum,&tsum,1,MPI_DOUBLE,MPI_SUM,MPIdata::kp_sp_comm());
return tsum;
}
////////////////////////////////////////////////////////////////////////////////
......
Markdown is supported
0% or
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment