Fixed initialization of arrays in computes (0e7ce194) · Commits · 郑智淋 / lammps

src/compute.cpp

+6 −9

Original line number	Diff line number	Diff line
		@@ -38,7 +38,10 @@ int Compute::instance_total = 0;

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

		Compute::Compute(LAMMPS lmp, int narg, char *arg) : Pointers(lmp)
		Compute::Compute(LAMMPS lmp, int narg, char *arg) : Pointers(lmp),
		id(NULL), style(NULL),
		vector(NULL), array(NULL), vector_atom(NULL), array_atom(NULL), vector_local(NULL), array_local(NULL),
		tlist(NULL)
		{
		instance_me = instance_total++;

		@@ -93,7 +96,6 @@ Compute::Compute(LAMMPS lmp, int narg, char *arg) : Pointers(lmp)
		// setup list of timesteps

		ntime = maxtime = 0;
		tlist = NULL;

		// data masks

		@@ -105,11 +107,6 @@ Compute::Compute(LAMMPS lmp, int narg, char *arg) : Pointers(lmp)
		datamask_modify = ALL_MASK;

		copymode = 0;

		// force init to zero in case these are used as logicals

		vector = vector_atom = vector_local = NULL;
		array = array_atom = array_local = NULL;
		}

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

+2 −1

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

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

+2 −3

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

		ComputeAngleLocal::ComputeAngleLocal(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 angle/local command");

		@@ -55,8 +56,6 @@ ComputeAngleLocal::ComputeAngleLocal(LAMMPS lmp, int narg, char *arg) :
		}

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

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

+2 −4

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

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

		@@ -48,9 +49,6 @@ ComputeAngmomChunk::ComputeAngmomChunk(LAMMPS lmp, int narg, char *arg) :

		nchunk = 1;
		maxchunk = 0;
		massproc = masstotal = NULL;
		com = comall = NULL;
		angmom = angmomall = NULL;
		allocate();
		}

+2 −1

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

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