Merge pull request #5 from akohlmey/initialize-pointers (0192d2e3) · Commits · 郑智淋 / lammps

src/compute.cpp

+6 −9

Original line number	Original line	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), vbiasall(NULL)
	{		{
	instance_me = instance_total++;		instance_me = instance_total++;

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

	ntime = maxtime = 0;		ntime = maxtime = 0;
	tlist = NULL;

	// data masks		// data masks

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

	copymode = 0;		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	Original line	Diff line number	Diff line
	@@ -24,7 +24,8 @@ using namespace LAMMPS_NS;
	/* ---------------------------------------------------------------------- */		/* ---------------------------------------------------------------------- */

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

+2 −3

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

	ComputeAngleLocal::ComputeAngleLocal(LAMMPS lmp, int narg, char *arg) :		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");		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;		nmax = 0;
	vector = NULL;
	array = NULL;
	}		}

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

+2 −4

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

	ComputeAngmomChunk::ComputeAngmomChunk(LAMMPS lmp, int narg, char *arg) :		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");		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;		nchunk = 1;
	maxchunk = 0;		maxchunk = 0;
	massproc = masstotal = NULL;
	com = comall = NULL;
	angmom = angmomall = NULL;
	allocate();		allocate();
	}		}

+2 −1

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

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