ewald_order needs to be saved in restart (9fe0b1cb) · Commits · 郑智淋 / lammps

src/KSPACE/pair_lj_long_tip4p_long.cpp

+3 −0

Original line number	Diff line number	Diff line
		@@ -1531,6 +1531,7 @@ void PairLJLongTIP4PLong::write_restart_settings(FILE *fp)
		fwrite(&mix_flag,sizeof(int),1,fp);
		fwrite(&ncoultablebits,sizeof(int),1,fp);
		fwrite(&tabinner,sizeof(double),1,fp);
		fwrite(&ewald_order,sizeof(int),1,fp);
		}

		/* ----------------------------------------------------------------------
		@@ -1552,6 +1553,7 @@ void PairLJLongTIP4PLong::read_restart_settings(FILE *fp)
		utils::sfread(FLERR,&mix_flag,sizeof(int),1,fp,NULL,error);
		utils::sfread(FLERR,&ncoultablebits,sizeof(int),1,fp,NULL,error);
		utils::sfread(FLERR,&tabinner,sizeof(double),1,fp,NULL,error);
		utils::sfread(FLERR,&ewald_order,sizeof(int),1,fp,NULL,error);
		}

		MPI_Bcast(&typeO,1,MPI_INT,0,world);
		@@ -1566,6 +1568,7 @@ void PairLJLongTIP4PLong::read_restart_settings(FILE *fp)
		MPI_Bcast(&mix_flag,1,MPI_INT,0,world);
		MPI_Bcast(&ncoultablebits,1,MPI_INT,0,world);
		MPI_Bcast(&tabinner,1,MPI_DOUBLE,0,world);
		MPI_Bcast(&ewald_order,1,MPI_INT,0,world);
		}

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