Tweaked fix nphug restart (8280970b) · Commits · 郑智淋 / lammps

src/SHOCK/fix_nphug.cpp

+19 −20

Original line number	Diff line number	Diff line
		@@ -374,38 +374,37 @@ double FixNPHug::compute_vector(int n)
		}

		/* ----------------------------------------------------------------------
		pack entire state of Fix into one write
		pack restart data
		------------------------------------------------------------------------- */

		void FixNPHug::write_restart(FILE *fp)
		int FixNPHug::pack_restart_data(double *list)
		{
		int nsize = 3;

		// Add on the base class size

		int nsizetot = nsize + FixNH::size_restart();

		double *list;
		memory->create(list,nsize,"nphug:list");

		int n = 0;

		list[n++] = e0;
		list[n++] = v0;
		list[n++] = p0;

		if (comm->me == 0) {
		int sizetot = nsizetot * sizeof(double);
		fwrite(&sizetot,sizeof(int),1,fp);
		fwrite(list,sizeof(double),nsize,fp);
		// call the base class function

		n += FixNH::pack_restart_data(list+n);

		return n;
		}

		memory->destroy(list);
		/* ----------------------------------------------------------------------
		calculate the number of data to be packed
		------------------------------------------------------------------------- */

		int FixNPHug::size_restart()
		{
		int nsize = 3;

		// Write the base class data without size
		// call the base class function

		FixNH::write_restart_nosize(fp);
		nsize += FixNH::size_restart();

		return nsize;
		}

		/* ----------------------------------------------------------------------
		@@ -424,7 +423,7 @@ void FixNPHug::restart(char *buf)
		v0_set = 1;
		p0_set = 1;

		// Call the base class function
		// call the base class function

		buf += n*sizeof(double);
		FixNH::restart(buf);

+2 −1

Original line number	Diff line number	Diff line
		@@ -31,7 +31,8 @@ class FixNPHug : public FixNH {
		void init();
		void setup(int);
		int modify_param(int, char **);
		void write_restart(FILE *);
		int pack_restart_data(double *); // pack restart data
		int size_restart(); // return size
		void restart(char *);

		private: