fix restart issues in pair style lennard/mdf (90acace1) · Commits · 郑智淋 / lammps

src/USER-MISC/pair_lennard_mdf.cpp

+8 −2

Original line number	Diff line number	Diff line
		@@ -226,8 +226,8 @@ void PairLennardMDF::coeff(int narg, char **arg)
		cut_inner_one = force->numeric(FLERR,arg[4]);
		cut_one = force->numeric(FLERR,arg[5]);
		}
		if (cut_inner_global <= 0.0 \|\| cut_inner_global > cut_global)
		error->all(FLERR,"Illegal pair_style command");
		if (cut_inner_one <= 0.0 \|\| cut_inner_one > cut_one)
		error->all(FLERR,"Illegal pair_coeff command");

		int count = 0;
		for (int i = ilo; i <= ihi; i++) {
		@@ -328,6 +328,8 @@ void PairLennardMDF::read_restart(FILE *fp)
		void PairLennardMDF::write_restart_settings(FILE *fp)
		{
		fwrite(&mix_flag,sizeof(int),1,fp);
		fwrite(&cut_global,sizeof(double),1,fp);
		fwrite(&cut_inner_global,sizeof(double),1,fp);
		}

		/* ----------------------------------------------------------------------
		@@ -339,8 +341,12 @@ void PairLennardMDF::read_restart_settings(FILE *fp)
		int me = comm->me;
		if (me == 0) {
		utils::sfread(FLERR,&mix_flag,sizeof(int),1,fp,NULL,error);
		utils::sfread(FLERR,&cut_global,sizeof(double),1,fp,NULL,error);
		utils::sfread(FLERR,&cut_inner_global,sizeof(double),1,fp,NULL,error);
		}
		MPI_Bcast(&mix_flag,1,MPI_INT,0,world);
		MPI_Bcast(&cut_global,1,MPI_DOUBLE,0,world);
		MPI_Bcast(&cut_inner_global,1,MPI_DOUBLE,0,world);
		}

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