(550be1d5) · Commits · 郑智淋 / lammps

src/compute_reduce.cpp

+4 −2

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

		int expand = 0;
		char **earg;
		char earg,arghold;
		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
		@@ -189,8 +190,9 @@ 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 < nargnew; i++) delete [] earg[i];
		for (int i = 0; i < nvalues; i++) delete [] earg[i];
		memory->sfree(earg);
		arg = arghold;
		}

		// setup and error check

+7 −6

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

		expand = 0;
		nfield = nargnew = input->expand_args(narg-5,&arg[5],1,earg);
		nfield = 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;
		@@ -89,6 +87,9 @@ 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;
		@@ -180,14 +181,14 @@ DumpCustom::~DumpCustom()
		// could not do in constructor, b/c some derived classes process earg

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

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

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

+0 −1

Original line number	Diff line number	Diff line
		@@ -40,7 +40,6 @@ 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

+3 −1

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

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

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

		// parse values
		@@ -127,6 +128,7 @@ 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

+5 −4

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

		int expand = 0;
		char **earg;
		char earg,arghold;
		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
		@@ -74,9 +75,8 @@ FixAveChunk::FixAveChunk(LAMMPS lmp, int narg, char *arg) :
		value2index = new int[nargnew];
		nvalues = 0;

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

		ids[nvalues] = NULL;

		if (strcmp(arg[iarg],"vx") == 0) {
		@@ -376,8 +376,9 @@ 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 < nargnew; i++) delete [] earg[i];
		for (int i = 0; i < nvalues; i++) delete [] earg[i];
		memory->sfree(earg);
		arg = arghold;
		}

		// this fix produces a global array