tx258/lammps-gran-kokkos
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This commit is contained in:
Jacob Gissinger
2025-01-25 16:22:12 -05:00
parent ccc790265d
commit 8482d150e1
1 changed files with 1 additions and 1 deletions
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2
src/REAXFF/fix_reaxff_species.cpp
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@ -855,7 +855,7 @@ void FixReaxFFSpecies::WritePos(int Nmole, int Nspec)
update->ntimestep, Nmole, Nspec, domain->boxlo[0], domain->boxhi[0],
domain->boxlo[1], domain->boxhi[1], domain->boxlo[2], domain->boxhi[2]);
fprintf(pos, "ID\tAtom_Count\tType\tAve_q\t\tCoM_x\t\tCoM_y\t\tCoM_z\n");
fprintf(pos, "ID\tAtom_Count\tType\tTot_q\t\tCoM_x\t\tCoM_y\t\tCoM_z\n");
}
Nameall = nullptr;