print names of restored force field styles to screen and logfile (16054cc3) · Commits · 郑智淋 / lammps

src/read_restart.cpp

+42 −1

Original line number	Diff line number	Diff line
		@@ -62,7 +62,7 @@ enum{VERSION,SMALLINT,TAGINT,BIGINT,
		MULTIPROC,MPIIO,PROCSPERFILE,PERPROC,
		IMAGEINT,BOUNDMIN,TIMESTEP,
		ATOM_ID,ATOM_MAP_STYLE,ATOM_MAP_USER,ATOM_SORTFREQ,ATOM_SORTBIN,
		COMM_MODE,COMM_CUTOFF,COMM_VEL};
		COMM_MODE,COMM_CUTOFF,COMM_VEL,NO_PAIR};

		#define LB_FACTOR 1.1

		@@ -949,30 +949,71 @@ void ReadRestart::force_fields()
		force->create_pair(style,1);
		delete [] style;
		force->pair->read_restart(fp);
		if (comm->me ==0) {
		if (screen) fprintf(screen," restored pair style %s from "
		"restart\n", force->pair_style);
		if (logfile) fprintf(logfile," restored pair style %s from "
		"restart\n", force->pair_style);
		}

		} else if (flag == NO_PAIR) {
		style = read_string();
		if (comm->me ==0) {
		if (screen) fprintf(screen," pair style %s stores no "
		"restart info\n", style);
		if (logfile) fprintf(logfile," pair style %s stores no "
		"restart info\n", style);
		}
		force->create_pair("none",0);
		force->pair_restart = style;

		} else if (flag == BOND) {
		style = read_string();
		force->create_bond(style,1);
		delete [] style;
		force->bond->read_restart(fp);
		if (comm->me ==0) {
		if (screen) fprintf(screen," restored bond style %s from "
		"restart\n", force->bond_style);
		if (logfile) fprintf(logfile," restored bond style %s from "
		"restart\n", force->bond_style);
		}

		} else if (flag == ANGLE) {
		style = read_string();
		force->create_angle(style,1);
		delete [] style;
		force->angle->read_restart(fp);
		if (comm->me ==0) {
		if (screen) fprintf(screen," restored angle style %s from "
		"restart\n", force->angle_style);
		if (logfile) fprintf(logfile," restored angle style %s from "
		"restart\n", force->angle_style);
		}

		} else if (flag == DIHEDRAL) {
		style = read_string();
		force->create_dihedral(style,1);
		delete [] style;
		force->dihedral->read_restart(fp);
		if (comm->me ==0) {
		if (screen) fprintf(screen," restored dihedral style %s from "
		"restart\n", force->dihedral_style);
		if (logfile) fprintf(logfile," restored dihedral style %s from "
		"restart\n", force->dihedral_style);
		}

		} else if (flag == IMPROPER) {
		style = read_string();
		force->create_improper(style,1);
		delete [] style;
		force->improper->read_restart(fp);
		if (comm->me ==0) {
		if (screen) fprintf(screen," restored improper style %s from "
		"restart\n", force->improper_style);
		if (logfile) fprintf(logfile," restored improper style %s from "
		"restart\n", force->improper_style);
		}

		} else error->all(FLERR,
		"Invalid flag in force field section of restart file");

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