Fixed initialization of arrays in fixes (fd05a132) · Commits · 郑智淋 / lammps

src/fix_move.cpp

+4 −7

Original line number	Diff line number	Diff line
		@@ -47,7 +47,9 @@ enum{EQUAL,ATOM};
		/* ---------------------------------------------------------------------- */

		FixMove::FixMove(LAMMPS lmp, int narg, char *arg) :
		Fix(lmp, narg, arg)
		Fix(lmp, narg, arg),
		xvarstr(NULL), yvarstr(NULL), zvarstr(NULL), vxvarstr(NULL), vyvarstr(NULL), vzvarstr(NULL),
		xoriginal(NULL), toriginal(NULL), qoriginal(NULL), displace(NULL), velocity(NULL)
		{
		if (narg < 4) error->all(FLERR,"Illegal fix move command");

		@@ -65,8 +67,6 @@ FixMove::FixMove(LAMMPS lmp, int narg, char *arg) :
		// parse args

		int iarg;
		xvarstr = yvarstr = zvarstr = NULL;
		vxvarstr = vyvarstr = vzvarstr = NULL;

		if (strcmp(arg[3],"linear") == 0) {
		if (narg < 7) error->all(FLERR,"Illegal fix move command");
		@@ -255,9 +255,6 @@ FixMove::FixMove(LAMMPS lmp, int narg, char *arg) :
		// perform initial allocation of atom-based array
		// register with Atom class

		xoriginal = NULL;
		toriginal = NULL;
		qoriginal = NULL;
		grow_arrays(atom->nmax);
		atom->add_callback(0);
		atom->add_callback(1);

+5 −1

Original line number	Diff line number	Diff line
		@@ -50,7 +50,11 @@ enum{ISO,ANISO,TRICLINIC};
		NVT,NPH,NPT integrators for improved Nose-Hoover equations of motion
		---------------------------------------------------------------------- */

		FixNH::FixNH(LAMMPS lmp, int narg, char *arg) : Fix(lmp, narg, arg)
		FixNH::FixNH(LAMMPS lmp, int narg, char *arg) : Fix(lmp, narg, arg),
		tstat_flag(0), pstat_flag(0),
		rfix(NULL), id_dilate(NULL), irregular(NULL), id_temp(NULL), id_press(NULL),
		tcomputeflag(0), pcomputeflag(0), eta(NULL), eta_dot(NULL), eta_dotdot(NULL),
		eta_mass(NULL), etap(NULL), etap_dot(NULL), etap_dotdot(NULL), etap_mass(NULL), mpchain(0)
		{
		if (narg < 4) error->all(FLERR,"Illegal fix nvt/npt/nph command");