move global settings in restart files for table styles to restart settings functions (5ca93e36) · Commits · 郑智淋 / lammps

src/MOLECULE/angle_table.cpp

+20 −3

Original line number	Diff line number	Diff line
		@@ -277,6 +277,25 @@ double AngleTable::equilibrium_angle(int i)
		------------------------------------------------------------------------- */

		void AngleTable::write_restart(FILE *fp)
		{
		write_restart_settings(fp);
		}

		/* ----------------------------------------------------------------------
		proc 0 reads from restart file, bcasts
		------------------------------------------------------------------------- */

		void AngleTable::read_restart(FILE *fp)
		{
		read_restart_settings(fp);
		allocate();
		}

		/* ----------------------------------------------------------------------
		proc 0 writes to restart file
		------------------------------------------------------------------------- */

		void AngleTable::write_restart_settings(FILE *fp)
		{
		fwrite(&tabstyle,sizeof(int),1,fp);
		fwrite(&tablength,sizeof(int),1,fp);
		@@ -286,7 +305,7 @@ void AngleTable::write_restart(FILE *fp)
		proc 0 reads from restart file, bcasts
		------------------------------------------------------------------------- */

		void AngleTable::read_restart(FILE *fp)
		void AngleTable::read_restart_settings(FILE *fp)
		{
		if (comm->me == 0) {
		fread(&tabstyle,sizeof(int),1,fp);
		@@ -294,8 +313,6 @@ void AngleTable::read_restart(FILE *fp)
		}
		MPI_Bcast(&tabstyle,1,MPI_INT,0,world);
		MPI_Bcast(&tablength,1,MPI_INT,0,world);

		allocate();
		}

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

+2 −0

Original line number	Diff line number	Diff line
		@@ -35,6 +35,8 @@ class AngleTable : public Angle {
		double equilibrium_angle(int);
		void write_restart(FILE *);
		void read_restart(FILE *);
		void write_restart_settings(FILE *);
		void read_restart_settings(FILE *);
		double single(int, int, int, int);

		protected:

+20 −3

Original line number	Diff line number	Diff line
		@@ -221,6 +221,25 @@ double BondTable::equilibrium_distance(int i)
		------------------------------------------------------------------------- */

		void BondTable::write_restart(FILE *fp)
		{
		write_restart_settings(fp);
		}

		/* ----------------------------------------------------------------------
		proc 0 reads from restart file, bcasts
		------------------------------------------------------------------------- */

		void BondTable::read_restart(FILE *fp)
		{
		read_restart_settings(fp);
		allocate();
		}

		/* ----------------------------------------------------------------------
		proc 0 writes to restart file
		------------------------------------------------------------------------- */

		void BondTable::write_restart_settings(FILE *fp)
		{
		fwrite(&tabstyle,sizeof(int),1,fp);
		fwrite(&tablength,sizeof(int),1,fp);
		@@ -230,7 +249,7 @@ void BondTable::write_restart(FILE *fp)
		proc 0 reads from restart file, bcasts
		------------------------------------------------------------------------- */

		void BondTable::read_restart(FILE *fp)
		void BondTable::read_restart_settings(FILE *fp)
		{
		if (comm->me == 0) {
		fread(&tabstyle,sizeof(int),1,fp);
		@@ -238,8 +257,6 @@ void BondTable::read_restart(FILE *fp)
		}
		MPI_Bcast(&tabstyle,1,MPI_INT,0,world);
		MPI_Bcast(&tablength,1,MPI_INT,0,world);

		allocate();
		}

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

+2 −0

Original line number	Diff line number	Diff line
		@@ -35,6 +35,8 @@ class BondTable : public Bond {
		double equilibrium_distance(int);
		void write_restart(FILE *);
		void read_restart(FILE *);
		void write_restart_settings(FILE *);
		void read_restart_settings(FILE *);
		double single(int, double, int, int, double &);

		protected:

+21 −3

Original line number	Diff line number	Diff line
		@@ -1011,6 +1011,26 @@ void DihedralTable::coeff(int narg, char **arg)
		------------------------------------------------------------------------- */

		void DihedralTable::write_restart(FILE *fp)
		{
		write_restart_settings(fp);
		}

		/* ----------------------------------------------------------------------
		proc 0 reads from restart file, bcasts
		------------------------------------------------------------------------- */

		void DihedralTable::read_restart(FILE *fp)
		{
		read_restart_settings(fp);
		allocate();
		}


		/* ----------------------------------------------------------------------
		proc 0 writes to restart file
		------------------------------------------------------------------------- */

		void DihedralTable::write_restart_settings(FILE *fp)
		{
		fwrite(&tabstyle,sizeof(int),1,fp);
		fwrite(&tablength,sizeof(int),1,fp);
		@@ -1020,7 +1040,7 @@ void DihedralTable::write_restart(FILE *fp)
		proc 0 reads from restart file, bcasts
		------------------------------------------------------------------------- */

		void DihedralTable::read_restart(FILE *fp)
		void DihedralTable::read_restart_settings(FILE *fp)
		{
		if (comm->me == 0) {
		fread(&tabstyle,sizeof(int),1,fp);
		@@ -1029,8 +1049,6 @@ void DihedralTable::read_restart(FILE *fp)

		MPI_Bcast(&tabstyle,1,MPI_INT,0,world);
		MPI_Bcast(&tablength,1,MPI_INT,0,world);

		allocate();
		}