Initializing pointers in PERI, QEQ and REPLICA (db052427) · Commits · 郑智淋 / lammps

src/PERI/compute_damage_atom.cpp

+1 −2

Original line number	Original line	Diff line number	Diff line
	@@ -32,7 +32,7 @@ using namespace LAMMPS_NS;
	/* ---------------------------------------------------------------------- */		/* ---------------------------------------------------------------------- */

	ComputeDamageAtom::ComputeDamageAtom(LAMMPS lmp, int narg, char *arg) :		ComputeDamageAtom::ComputeDamageAtom(LAMMPS lmp, int narg, char *arg) :
	Compute(lmp, narg, arg)		Compute(lmp, narg, arg), damage(NULL)
	{		{
	if (narg != 3) error->all(FLERR,"Illegal compute damage/atom command");		if (narg != 3) error->all(FLERR,"Illegal compute damage/atom command");

	@@ -40,7 +40,6 @@ ComputeDamageAtom::ComputeDamageAtom(LAMMPS lmp, int narg, char *arg) :
	size_peratom_cols = 0;		size_peratom_cols = 0;

	nmax = 0;		nmax = 0;
	damage = NULL;
	}		}

	/* ---------------------------------------------------------------------- */		/* ---------------------------------------------------------------------- */

+5 −1

Original line number	Original line	Diff line number	Diff line
	@@ -46,7 +46,11 @@ using namespace FixConst;
	/* ---------------------------------------------------------------------- */		/* ---------------------------------------------------------------------- */

	FixQEq::FixQEq(LAMMPS lmp, int narg, char *arg) :		FixQEq::FixQEq(LAMMPS lmp, int narg, char *arg) :
	Fix(lmp, narg, arg)		Fix(lmp, narg, arg), list(NULL), chi(NULL), eta(NULL),
			gamma(NULL), zeta(NULL), zcore(NULL), chizj(NULL), shld(NULL),
			s(NULL), t(NULL), s_hist(NULL), t_hist(NULL), Hdia_inv(NULL), b_s(NULL),
			b_t(NULL), p(NULL), q(NULL), r(NULL), d(NULL),
			qf(NULL), q1(NULL), q2(NULL), qv(NULL)
	{		{
	if (narg < 8) error->all(FLERR,"Illegal fix qeq command");		if (narg < 8) error->all(FLERR,"Illegal fix qeq command");

+1 −1

Original line number	Original line	Diff line number	Diff line
	@@ -36,7 +36,7 @@ using namespace LAMMPS_NS;
	/* ---------------------------------------------------------------------- */		/* ---------------------------------------------------------------------- */

	ComputeEventDisplace::ComputeEventDisplace(LAMMPS lmp, int narg, char *arg) :		ComputeEventDisplace::ComputeEventDisplace(LAMMPS lmp, int narg, char *arg) :
	Compute(lmp, narg, arg)		Compute(lmp, narg, arg), id_event(NULL), fix_event(NULL)
	{		{
	if (narg != 4) error->all(FLERR,"Illegal compute event/displace command");		if (narg != 4) error->all(FLERR,"Illegal compute event/displace command");

+2 −9

Original line number	Original line	Diff line number	Diff line
	@@ -33,7 +33,8 @@ using namespace FixConst;
	/* ---------------------------------------------------------------------- */		/* ---------------------------------------------------------------------- */

	FixEvent::FixEvent(LAMMPS lmp, int narg, char *arg) :		FixEvent::FixEvent(LAMMPS lmp, int narg, char *arg) :
	Fix(lmp, narg, arg)		Fix(lmp, narg, arg), xevent(NULL), xold(NULL), vold(NULL),
			imageold(NULL), xorig(NULL), vorig(NULL), imageorig(NULL)
	{		{
	if (narg != 3) error->all(FLERR,"Illegal fix event command");		if (narg != 3) error->all(FLERR,"Illegal fix event command");

	@@ -42,14 +43,6 @@ FixEvent::FixEvent(LAMMPS lmp, int narg, char *arg) :
	// perform initial allocation of atom-based array		// perform initial allocation of atom-based array
	// register with Atom class		// register with Atom class

	xevent = NULL;
	xold = NULL;
	vold = NULL;
	imageold = NULL;
	xorig = NULL;
	vorig = NULL;
	imageorig = NULL;

	grow_arrays(atom->nmax);		grow_arrays(atom->nmax);
	atom->add_callback(0);		atom->add_callback(0);
	}		}

+4 −1

Original line number	Original line	Diff line number	Diff line
	@@ -36,7 +36,10 @@ enum{SINGLE_PROC_DIRECT,SINGLE_PROC_MAP,MULTI_PROC};
	/* ---------------------------------------------------------------------- */		/* ---------------------------------------------------------------------- */

	FixNEB::FixNEB(LAMMPS lmp, int narg, char *arg) :		FixNEB::FixNEB(LAMMPS lmp, int narg, char *arg) :
	Fix(lmp, narg, arg)		Fix(lmp, narg, arg), id_pe(NULL), pe(NULL), xprev(NULL), xnext(NULL),
			tangent(NULL), xsend(NULL), xrecv(NULL), tagsend(NULL), tagrecv(NULL),
			xsendall(NULL), xrecvall(NULL), tagsendall(NULL), tagrecvall(NULL),
			counts(NULL), displacements(NULL)
	{		{
	if (narg != 4) error->all(FLERR,"Illegal fix neb command");		if (narg != 4) error->all(FLERR,"Illegal fix neb command");