(6ccf4b45) · Commits · 郑智淋 / lammps

src/dump.cpp

+10 −16

Original line number	Diff line number	Diff line
		@@ -298,6 +298,9 @@ int Dump::count()

		void Dump::write()
		{
		imageint *imagehold;
		double xhold,vhold;

		// if file per timestep, open new file

		if (multifile) openfile();
		@@ -377,15 +380,12 @@ void Dump::write()
		memcpy(&vpbc[0][0],&atom->v[0][0],3nlocalsizeof(double));
		memcpy(imagepbc,atom->image,nlocal*sizeof(imageint));
		}
		double **dtmp = atom->x;
		xhold = atom->x;
		vhold = atom->v;
		imagehold = atom->image;
		atom->x = xpbc;
		xpbc = dtmp;
		dtmp = atom->v;
		atom->v = vpbc;
		vpbc = dtmp;
		imageint *itmp = atom->image;
		atom->image = imagepbc;
		imagepbc = itmp;
		domain->pbc();
		}

		@@ -470,15 +470,9 @@ void Dump::write()
		// restore original x,v,image unaltered by PBC

		if (pbcflag) {
		double **dtmp = atom->x;
		atom->x = xpbc;
		xpbc = dtmp;
		dtmp = atom->v;
		atom->v = vpbc;
		vpbc = dtmp;
		imageint *itmp = atom->image;
		atom->image = imagepbc;
		imagepbc = itmp;
		atom->x = xhold;
		atom->v = vhold;
		atom->image = imagehold;
		}

		// if file per timestep, close file if I am filewriter