Fixed initialization of arrays in computes (5e811f16) · Commits · 郑智淋 / lammps

src/compute_property_atom.cpp

+2 −3

Original line number	Diff line number	Diff line
		@@ -32,7 +32,8 @@ using namespace LAMMPS_NS;
		/* ---------------------------------------------------------------------- */

		ComputePropertyAtom::ComputePropertyAtom(LAMMPS lmp, int narg, char *arg) :
		Compute(lmp, narg, arg)
		Compute(lmp, narg, arg),
		index(NULL), vector(NULL), array(NULL), pack_choice(NULL)
		{
		if (narg < 4) error->all(FLERR,"Illegal compute property/atom command");

		@@ -352,8 +353,6 @@ ComputePropertyAtom::ComputePropertyAtom(LAMMPS lmp, int narg, char *arg) :
		}

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

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

+2 −4

Original line number	Diff line number	Diff line
		@@ -25,7 +25,8 @@ using namespace LAMMPS_NS;
		/* ---------------------------------------------------------------------- */

		ComputePropertyChunk::ComputePropertyChunk(LAMMPS lmp, int narg, char *arg) :
		Compute(lmp, narg, arg)
		Compute(lmp, narg, arg),
		idchunk(NULL), count_one(NULL), count_all(NULL)
		{
		if (narg < 5) error->all(FLERR,"Illegal compute property/chunk command");

		@@ -78,9 +79,6 @@ ComputePropertyChunk::ComputePropertyChunk(LAMMPS lmp, int narg, char *arg) :

		nchunk = 1;
		maxchunk = 0;
		vector = NULL;
		array = NULL;
		count_one = count_all = NULL;
		allocate();

		if (nvalues == 1) {

+2 −4

Original line number	Diff line number	Diff line
		@@ -34,7 +34,8 @@ enum{TYPE,RADIUS};
		/* ---------------------------------------------------------------------- */

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

		@@ -253,9 +254,6 @@ ComputePropertyLocal::ComputePropertyLocal(LAMMPS lmp, int narg, char *arg) :
		error->all(FLERR,"Compute property/local requires atom attribute radius");

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

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

+3 −1

Original line number	Diff line number	Diff line
		@@ -38,7 +38,9 @@ using namespace MathConst;
		/* ---------------------------------------------------------------------- */

		ComputeRDF::ComputeRDF(LAMMPS lmp, int narg, char *arg) :
		Compute(lmp, narg, arg)
		Compute(lmp, narg, arg),
		rdfpair(NULL), nrdfpair(NULL), ilo(NULL), ihi(NULL), jlo(NULL), jhi(NULL),
		hist(NULL), histall(NULL), typecount(NULL), icount(NULL), jcount(NULL), duplicates(NULL)
		{
		if (narg < 4 \|\| (narg-4) % 2) error->all(FLERR,"Illegal compute rdf command");

+3 −1

Original line number	Diff line number	Diff line
		@@ -43,7 +43,9 @@ enum{PERATOM,LOCAL};
		/* ---------------------------------------------------------------------- */

		ComputeReduce::ComputeReduce(LAMMPS lmp, int narg, char *arg) :
		Compute(lmp, narg, arg)
		Compute(lmp, narg, arg),
		nvalues(0), which(NULL), argindex(NULL), flavor(NULL), value2index(NULL), ids(NULL),
		onevec(NULL), replace(NULL), indices(NULL), owner(NULL), idregion(NULL), varatom(NULL)
		{
		int iarg = 0;
		if (strcmp(style,"reduce") == 0) {