sync fix temp/rescale to upstream (b2528663) · Commits · 郑智淋 / lammps

src/fix_temp_rescale.cpp

+4 −4

Original line number	Diff line number	Diff line
		@@ -37,18 +37,18 @@ enum{CONSTANT,EQUAL};
		/* ---------------------------------------------------------------------- */

		FixTempRescale::FixTempRescale(LAMMPS lmp, int narg, char *arg) :
		Fix(lmp, narg, arg)
		Fix(lmp, narg, arg),
		tstr(NULL), id_temp(NULL), tflag(0)
		{
		if (narg < 8) error->all(FLERR,"Illegal fix temp/rescale command");

		dynamic_group_allow = 1;

		nevery = force->inumeric(FLERR,arg[3]);
		if (nevery <= 0) error->all(FLERR,"Illegal fix temp/rescale command");

		scalar_flag = 1;
		global_freq = nevery;
		extscalar = 1;
		dynamic_group_allow = 1;

		tstr = NULL;
		if (strstr(arg[4],"v_") == arg[4]) {
		@@ -140,7 +140,7 @@ void FixTempRescale::end_of_step()

		if (temperature->dof < 1) return;

		// protect against division by zero.
		// protect against division by zero

		if (t_current == 0.0)
		error->all(FLERR,"Computed temperature for fix temp/rescale cannot be 0.0");