fixed bug with writing of data file velocities (d34f9af2) · Commits · 郑智淋 / lammps

src/atom_vec.cpp

+31 −35

Original line number	Diff line number	Diff line
		@@ -1979,12 +1979,10 @@ void AtomVec::write_vel(FILE fp, int n, double *buf)
		void *pdata;

		for (i = 0; i < n; i++) {
		fprintf(fp,TAGINT_FORMAT " %-1.16e %-1.16e %-1.16e\n",
		(tagint) ubuf(buf[i][0]).i,buf[i][1],buf[i][2],buf[i][3]);
		fprintf(fp,TAGINT_FORMAT,(tagint) ubuf(buf[i][0]).i);

		if (ndata_vel) {
		j = 4;
		for (nn = 0; nn < ndata_vel; nn++) {
		j = 1;
		for (nn = 1; nn < ndata_vel; nn++) {
		pdata = mdata_vel.pdata[nn];
		datatype = mdata_vel.datatype[nn];
		cols = mdata_vel.cols[nn];
		@@ -2017,8 +2015,6 @@ void AtomVec::write_vel(FILE fp, int n, double *buf)
		}
		}
		}
		}

		fprintf(fp,"\n");
		}
		}