bugfix (caa99074) · Commits · 郑智淋 / lammps

src/USER-MISC/fix_bond_react.cpp

+4 −4

Original line number	Diff line number	Diff line
		@@ -2220,19 +2220,19 @@ void FixBondReact::update_everything()
		// all atom-level info (bond,angles, etc...) were kinda inherited from a common data struct --JG

		int Tdelta_bonds;
		MPI_Allreduce(&delta_bonds,&Tdelta_bonds,1,MPI_LMP_BIGINT,MPI_SUM,world);
		MPI_Allreduce(&delta_bonds,&Tdelta_bonds,1,MPI_INT,MPI_SUM,world);
		atom->nbonds += Tdelta_bonds;

		int Tdelta_angle;
		MPI_Allreduce(&delta_angle,&Tdelta_angle,1,MPI_LMP_BIGINT,MPI_SUM,world);
		MPI_Allreduce(&delta_angle,&Tdelta_angle,1,MPI_INT,MPI_SUM,world);
		atom->nangles += Tdelta_angle;

		int Tdelta_dihed;
		MPI_Allreduce(&delta_dihed,&Tdelta_dihed,1,MPI_LMP_BIGINT,MPI_SUM,world);
		MPI_Allreduce(&delta_dihed,&Tdelta_dihed,1,MPI_INT,MPI_SUM,world);
		atom->ndihedrals += Tdelta_dihed;

		int Tdelta_imprp;
		MPI_Allreduce(&delta_imprp,&Tdelta_imprp,1,MPI_LMP_BIGINT,MPI_SUM,world);
		MPI_Allreduce(&delta_imprp,&Tdelta_imprp,1,MPI_INT,MPI_SUM,world);
		atom->nimpropers += Tdelta_imprp;
		}