Fix calc of wavefunction entropy

0cfce6d0 · Francois Gygi · fce4c781 · 0cfce6d0
Commit 0cfce6d0 authored Aug 28, 2020 by Francois Gygi
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Wavefunction.cpp src/Wavefunction.cpp +3 -1

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--- a/src/Wavefunction.cpp
+++ b/src/Wavefunction.cpp
@@ -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;
 }

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