(6c8d3ed4) · Commits · 郑智淋 / lammps

src/compute_reduce.cpp

+2 −4

Original line number	Diff line number	Diff line
		@@ -75,11 +75,10 @@ ComputeReduce::ComputeReduce(LAMMPS lmp, int narg, char *arg) :
		// expand args if any have wildcard character "*"

		int expand = 0;
		char earg,arghold;
		char **earg;
		int nargnew = input->expand_args(narg-iarg,&arg[iarg],1,earg);

		if (earg != &arg[iarg]) expand = 1;
		arghold = arg;
		arg = earg;

		// parse values until one isn't recognized
		@@ -190,9 +189,8 @@ ComputeReduce::ComputeReduce(LAMMPS lmp, int narg, char *arg) :
		// if wildcard expansion occurred, free earg memory from expand_args()

		if (expand) {
		for (int i = 0; i < nvalues; i++) delete [] earg[i];
		for (int i = 0; i < nargnew; i++) delete [] earg[i];
		memory->sfree(earg);
		arg = arghold;
		}

		// setup and error check

+6 −7

Original line number	Diff line number	Diff line
		@@ -68,13 +68,15 @@ DumpCustom::DumpCustom(LAMMPS lmp, int narg, char *arg) :
		// nfield may be shrunk below if extra optional args exist

		expand = 0;
		nfield = input->expand_args(narg-5,&arg[5],1,earg);
		nfield = nargnew = input->expand_args(narg-5,&arg[5],1,earg);
		if (earg != &arg[5]) expand = 1;

		// allocate field vectors

		pack_choice = new FnPtrPack[nfield];
		vtype = new int[nfield];
		field2index = new int[nfield];
		argindex = new int[nfield];

		buffer_allow = 1;
		buffer_flag = 1;
		@@ -87,9 +89,6 @@ DumpCustom::DumpCustom(LAMMPS lmp, int narg, char *arg) :

		// computes, fixes, variables which the dump accesses

		memory->create(field2index,nfield,"dump:field2index");
		memory->create(argindex,nfield,"dump:argindex");

		ncompute = 0;
		id_compute = NULL;
		compute = NULL;
		@@ -181,14 +180,14 @@ DumpCustom::~DumpCustom()
		// could not do in constructor, b/c some derived classes process earg

		if (expand) {
		for (int i = 0; i < nfield; i++) delete [] earg[i];
		for (int i = 0; i < nargnew; i++) delete [] earg[i];
		memory->sfree(earg);
		}

		delete [] pack_choice;
		delete [] vtype;
		memory->destroy(field2index);
		memory->destroy(argindex);
		delete [] field2index;
		delete [] argindex;

		delete [] idregion;
		memory->destroy(thresh_array);

+1 −0

Original line number	Diff line number	Diff line
		@@ -40,6 +40,7 @@ class DumpCustom : public Dump {

		int expand; // flag for whether field args were expanded
		char **earg; // field names with wildcard expansion
		int nargnew; // size of earg

		int *vtype; // type of each vector (INT, DOUBLE)
		char **vformat; // format string for each vector element

+1 −3

Original line number	Diff line number	Diff line
		@@ -49,11 +49,10 @@ FixAveAtom::FixAveAtom(LAMMPS lmp, int narg, char *arg) :
		// this can reset nvalues

		int expand = 0;
		char earg,arghold;
		char **earg;
		nvalues = input->expand_args(nvalues,&arg[6],1,earg);

		if (earg != &arg[6]) expand = 1;
		arghold = arg;
		arg = earg;

		// parse values
		@@ -128,7 +127,6 @@ FixAveAtom::FixAveAtom(LAMMPS lmp, int narg, char *arg) :
		if (expand) {
		for (int i = 0; i < nvalues; i++) delete [] earg[i];
		memory->sfree(earg);
		arg = arghold;
		}

		// setup and error check

+4 −5

Original line number	Diff line number	Diff line
		@@ -60,11 +60,10 @@ FixAveChunk::FixAveChunk(LAMMPS lmp, int narg, char *arg) :
		// expand args if any have wildcard character "*"

		int expand = 0;
		char earg,arghold;
		char **earg;
		int nargnew = input->expand_args(narg-7,&arg[7],1,earg);

		if (earg != &arg[7]) expand = 1;
		arghold = arg;
		arg = earg;

		// parse values until one isn't recognized
		@@ -75,8 +74,9 @@ FixAveChunk::FixAveChunk(LAMMPS lmp, int narg, char *arg) :
		value2index = new int[nargnew];
		nvalues = 0;

		int iarg = 7;
		int iarg = 0;
		while (iarg < narg) {

		ids[nvalues] = NULL;

		if (strcmp(arg[iarg],"vx") == 0) {
		@@ -376,9 +376,8 @@ FixAveChunk::FixAveChunk(LAMMPS lmp, int narg, char *arg) :
		// wait to do this until after file comment lines are printed

		if (expand) {
		for (int i = 0; i < nvalues; i++) delete [] earg[i];
		for (int i = 0; i < nargnew; i++) delete [] earg[i];
		memory->sfree(earg);
		arg = arghold;
		}

		// this fix produces a global array