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

src/compute.cpp

+1 −1

Original line number	Diff line number	Diff line
		@@ -41,7 +41,7 @@ int Compute::instance_total = 0;
		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)
		tlist(NULL), vbiasall(NULL)
		{
		instance_me = instance_total++;

+2 −2

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

		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");

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

		nmax = 0;
		stress = NULL;
		}

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

+4 −7

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

		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");

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

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

		if (nvalues) {
		array_flag = 1;

+2 −2

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

		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");

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

		maxatom = 0;
		bin = NULL;
		}

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

+2 −1

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

		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");