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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11298 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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@ -213,14 +213,15 @@ void ComputeAtomMolecule::init()
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void ComputeAtomMolecule::compute_vector()
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{
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int i,j,n,imol;
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int i,j,n;
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tagint imol;
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invoked_vector = update->ntimestep;
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for (n = 0; n < nmolecules; n++) vone[n] = 0.0;
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compute_one(0);
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int *molecule = atom->molecule;
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tagint *molecule = atom->molecule;
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int *mask = atom->mask;
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int nlocal = atom->nlocal;
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j = 0;
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@ -243,11 +244,12 @@ void ComputeAtomMolecule::compute_vector()
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void ComputeAtomMolecule::compute_array()
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{
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int i,j,m,n,imol;
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int i,j,m,n;
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tagint imol;
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invoked_array = update->ntimestep;
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int *molecule = atom->molecule;
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tagint *molecule = atom->molecule;
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int *mask = atom->mask;
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int nlocal = atom->nlocal;
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@ -339,7 +341,7 @@ void ComputeAtomMolecule::compute_one(int m)
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double ComputeAtomMolecule::memory_usage()
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{
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double bytes = 2*nmolecules*nvalues * sizeof(double);
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double bytes = (bigint) nmolecules * 2*nvalues * sizeof(double);
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if (molmap) bytes += (idhi-idlo+1) * sizeof(int);
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bytes += maxatom * sizeof(double);
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return bytes;
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