Fixed initialization of arrays in computes (1f3ef8e0) · Commits · 郑智淋 / lammps

src/compute_hexorder_atom.cpp

+2 −4

Original line number	Diff line number	Diff line
		@@ -44,7 +44,8 @@ using namespace MathConst;
		/* ---------------------------------------------------------------------- */

		ComputeHexOrderAtom::ComputeHexOrderAtom(LAMMPS lmp, int narg, char *arg) :
		Compute(lmp, narg, arg)
		Compute(lmp, narg, arg),
		distsq(NULL), nearest(NULL), qnarray(NULL)
		{
		if (narg < 3 ) error->all(FLERR,"Illegal compute hexorder/atom command");

		@@ -87,10 +88,7 @@ ComputeHexOrderAtom::ComputeHexOrderAtom(LAMMPS lmp, int narg, char *arg) :
		size_peratom_cols = ncol;

		nmax = 0;
		qnarray = NULL;
		maxneigh = 0;
		distsq = NULL;
		nearest = NULL;
		}

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

+2 −1

Original line number	Diff line number	Diff line
		@@ -24,7 +24,8 @@ using namespace LAMMPS_NS;
		/* ---------------------------------------------------------------------- */

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

+2 −3

Original line number	Diff line number	Diff line
		@@ -35,7 +35,8 @@ using namespace MathConst;
		/* ---------------------------------------------------------------------- */

		ComputeImproperLocal::ComputeImproperLocal(LAMMPS lmp, int narg, char *arg) :
		Compute(lmp, narg, arg)
		Compute(lmp, narg, arg),
		vector(NULL), array(NULL)
		{
		if (narg < 4) error->all(FLERR,"Illegal compute improper/local command");

		@@ -57,8 +58,6 @@ ComputeImproperLocal::ComputeImproperLocal(LAMMPS lmp, int narg, char *arg) :
		}

		nmax = 0;
		vector = NULL;
		array = NULL;
		}

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

+3 −4

Original line number	Diff line number	Diff line
		@@ -26,7 +26,9 @@ using namespace LAMMPS_NS;
		/* ---------------------------------------------------------------------- */

		ComputeInertiaChunk::ComputeInertiaChunk(LAMMPS lmp, int narg, char *arg) :
		Compute(lmp, narg, arg)
		Compute(lmp, narg, arg),
		idchunk(NULL), massproc(NULL), masstotal(NULL), com(NULL), comall(NULL),
		inertia(NULL), inertiaall(NULL)
		{
		if (narg != 4) error->all(FLERR,"Illegal compute inertia/chunk command");

		@@ -48,9 +50,6 @@ ComputeInertiaChunk::ComputeInertiaChunk(LAMMPS lmp, int narg, char *arg) :

		nchunk = 1;
		maxchunk = 0;
		massproc = masstotal = NULL;
		com = comall = NULL;
		inertia = inertiaall = NULL;
		allocate();
		}

+2 −2

Original line number	Diff line number	Diff line
		@@ -26,7 +26,8 @@ using namespace LAMMPS_NS;
		/* ---------------------------------------------------------------------- */

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

		@@ -34,7 +35,6 @@ ComputeKEAtom::ComputeKEAtom(LAMMPS lmp, int narg, char *arg) :
		size_peratom_cols = 0;

		nmax = 0;
		ke = NULL;
		}

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