Fixed initialization of arrays in computes (7d43f349) · Commits · 郑智淋 / lammps

src/compute.cpp

+1 −1

Original line number	Original line	Diff line number	Diff line
	@@ -41,7 +41,7 @@ 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),		id(NULL), style(NULL),
	vector(NULL), array(NULL), vector_atom(NULL), array_atom(NULL), vector_local(NULL), array_local(NULL),		vector(NULL), array(NULL), vector_atom(NULL), array_atom(NULL), vector_local(NULL), array_local(NULL),
	tlist(NULL)		tlist(NULL), vbiasall(NULL)
	{		{
	instance_me = instance_total++;		instance_me = instance_total++;

+2 −2

Original line number	Original line	Diff line number	Diff line
	@@ -36,7 +36,8 @@ enum{NOBIAS,BIAS};
	/* ---------------------------------------------------------------------- */		/* ---------------------------------------------------------------------- */

	ComputeStressAtom::ComputeStressAtom(LAMMPS lmp, int narg, char *arg) :		ComputeStressAtom::ComputeStressAtom(LAMMPS lmp, int narg, char *arg) :
	Compute(lmp, narg, arg)		Compute(lmp, narg, arg),
			id_temp(NULL), stress(NULL)
	{		{
	if (narg < 4) error->all(FLERR,"Illegal compute stress/atom command");		if (narg < 4) error->all(FLERR,"Illegal compute stress/atom command");

	@@ -98,7 +99,6 @@ ComputeStressAtom::ComputeStressAtom(LAMMPS lmp, int narg, char *arg) :
	}		}

	nmax = 0;		nmax = 0;
	stress = NULL;
	}		}

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

+4 −7

Original line number	Original line	Diff line number	Diff line
	@@ -29,7 +29,9 @@ enum{TEMP,KECOM,INTERNAL};
	/* ---------------------------------------------------------------------- */		/* ---------------------------------------------------------------------- */

	ComputeTempChunk::ComputeTempChunk(LAMMPS lmp, int narg, char *arg) :		ComputeTempChunk::ComputeTempChunk(LAMMPS lmp, int narg, char *arg) :
	Compute(lmp, narg, arg)		Compute(lmp, narg, arg),
			which(NULL), idchunk(NULL), id_bias(NULL), sum(NULL), sumall(NULL), count(NULL),
			countall(NULL), massproc(NULL), masstotal(NULL), vcm(NULL), vcmall(NULL)
	{		{
	if (narg < 4) error->all(FLERR,"Illegal compute temp/chunk command");		if (narg < 4) error->all(FLERR,"Illegal compute temp/chunk command");

	@@ -129,11 +131,6 @@ ComputeTempChunk::ComputeTempChunk(LAMMPS lmp, int narg, char *arg) :

	nchunk = 1;		nchunk = 1;
	maxchunk = 0;		maxchunk = 0;
	sum = sumall = NULL;
	count = countall = NULL;
	massproc = masstotal = NULL;
	vcm = vcmall = NULL;
	array = NULL;

	if (nvalues) {		if (nvalues) {
	array_flag = 1;		array_flag = 1;

+2 −2

Original line number	Original line	Diff line number	Diff line
	@@ -31,7 +31,8 @@ enum{TENSOR,BIN};
	/* ---------------------------------------------------------------------- */		/* ---------------------------------------------------------------------- */

	ComputeTempProfile::ComputeTempProfile(LAMMPS lmp, int narg, char *arg) :		ComputeTempProfile::ComputeTempProfile(LAMMPS lmp, int narg, char *arg) :
	Compute(lmp, narg, arg)		Compute(lmp, narg, arg),
			bin(NULL), vbin(NULL), binave(NULL), tbin(NULL), tbinall(NULL)
	{		{
	if (narg < 7) error->all(FLERR,"Illegal compute temp/profile command");		if (narg < 7) error->all(FLERR,"Illegal compute temp/profile command");

	@@ -138,7 +139,6 @@ ComputeTempProfile::ComputeTempProfile(LAMMPS lmp, int narg, char *arg) :
	}		}

	maxatom = 0;		maxatom = 0;
	bin = NULL;
	}		}

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

+2 −1

Original line number	Original line	Diff line number	Diff line
	@@ -28,7 +28,8 @@ using namespace LAMMPS_NS;
	/* ---------------------------------------------------------------------- */		/* ---------------------------------------------------------------------- */

	ComputeTempRegion::ComputeTempRegion(LAMMPS lmp, int narg, char *arg) :		ComputeTempRegion::ComputeTempRegion(LAMMPS lmp, int narg, char *arg) :
	Compute(lmp, narg, arg)		Compute(lmp, narg, arg),
			idregion(NULL)
	{		{
	if (narg != 4) error->all(FLERR,"Illegal compute temp/region command");		if (narg != 4) error->all(FLERR,"Illegal compute temp/region command");