forked from lijiext/lammps
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9748 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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@ -140,8 +140,8 @@ void WriteData::write(char *file)
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if (natoms) atoms();
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if (natoms) velocities();
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if (atom->nbonds) bonds();
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if (atom->nangles) angles();
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if (nbonds) bonds();
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if (nangles) angles();
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if (atom->ndihedrals) dihedrals();
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if (atom->nimpropers) impropers();
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@ -167,14 +167,12 @@ void WriteData::header()
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if (atom->nbonds || atom->nbondtypes) {
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nbonds_local = atom->avec->pack_bond(NULL);
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bigint nbonds;
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MPI_Allreduce(&nbonds_local,&nbonds,1,MPI_LMP_BIGINT,MPI_SUM,world);
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fprintf(fp,BIGINT_FORMAT " bonds\n",nbonds);
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fprintf(fp,"%d bond types\n",atom->nbondtypes);
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}
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if (atom->nangles || atom->nangletypes) {
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nangles_local = atom->avec->pack_angle(NULL);
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bigint nangles;
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MPI_Allreduce(&nangles_local,&nangles,1,MPI_LMP_BIGINT,MPI_SUM,world);
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fprintf(fp,BIGINT_FORMAT " angles\n",nangles);
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fprintf(fp,"%d angle types\n",atom->nangletypes);
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@ -34,8 +34,8 @@ class WriteData : protected Pointers {
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private:
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int me,nprocs;
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FILE *fp;
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bigint nbonds_local;
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bigint nangles_local;
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bigint nbonds_local,nbonds;
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bigint nangles_local,nangles;
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void header();
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void type_arrays();
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