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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8347 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-06-19 21:40:32 +00:00
parent 9733df5929
commit b96c9934ca
2 changed files with 2 additions and 2 deletions
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2
src/compute_gyration.cpp
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@ -113,5 +113,5 @@ void ComputeGyration::compute_vector()
MPI_Allreduce(rg,vector,6,MPI_DOUBLE,MPI_SUM,world); MPI_Allreduce(rg,vector,6,MPI_DOUBLE,MPI_SUM,world);
if (masstotal == 0.0) return; if (masstotal == 0.0) return;
for (int i = 0; i < 6; i++) vector[i] = sqrt(vector[i]/masstotal); for (int i = 0; i < 6; i++) vector[i] /= masstotal;
} }

2
src/compute_gyration_molecule.cpp
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@ -222,7 +222,7 @@ void ComputeGyrationMolecule::compute_array()
for (i = 0; i < nmolecules; i++) for (i = 0; i < nmolecules; i++)
for (j = 0; j < 6; j++) for (j = 0; j < 6; j++)
array[i][j] = sqrt(array[i][j]/masstotal[i]); array[i][j] /= masstotal[i];
} }