(09581bb1) · Commits · 郑智淋 / lammps

src/KSPACE/pair_coul_long.cpp

+19 −0

Original line number	Diff line number	Diff line
		@@ -271,6 +271,13 @@ double PairCoulLong::init_one(int i, int j)
		void PairCoulLong::write_restart(FILE *fp)
		{
		write_restart_settings(fp);

		for (int i = 1; i <= atom->ntypes; i++)
		for (int j = i; j <= atom->ntypes; j++) {
		fwrite(&setflag[i][j],sizeof(int),1,fp);
		if (setflag[i][j])
		fwrite(&scale[i][j],sizeof(double),1,fp);
		}
		}

		/* ----------------------------------------------------------------------
		@@ -282,6 +289,18 @@ void PairCoulLong::read_restart(FILE *fp)
		read_restart_settings(fp);

		allocate();

		int i,j;
		int me = comm->me;
		for (i = 1; i <= atom->ntypes; i++)
		for (j = i; j <= atom->ntypes; j++) {
		if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp);
		MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world);
		if (setflag[i][j]) {
		if (me == 0) fread(&scale[i][j],sizeof(double),1,fp);
		MPI_Bcast(&scale[i][j],1,MPI_DOUBLE,0,world);
		}
		}
		}

		/* ----------------------------------------------------------------------