dead code removal and loop construct fixes to silence compiler warnings. (8fef7880) · Commits · 郑智淋 / lammps

src/USER-MISC/fix_bond_react.cpp

+5 −32

Original line number	Diff line number	Diff line
		@@ -551,8 +551,7 @@ void FixBondReact::init_list(int id, NeighList *ptr)

		void FixBondReact::post_integrate()
		{

		int inum,jnum,itype,jtype,n1,n2,n3,possible;
		int inum,jnum,itype,jtype,possible;
		double xtmp,ytmp,ztmp,delx,dely,delz,rsq;
		int ilist,jlist,numneigh,*firstneigh;

		@@ -617,8 +616,6 @@ void FixBondReact::post_integrate()

		double **x = atom->x;
		tagint *tag = atom->tag;
		tagint **bond_atom = atom->bond_atom;
		int *num_bond = atom->num_bond;
		int **nspecial = atom->nspecial;
		tagint **special = atom->special;
		int *mask = atom->mask;
		@@ -758,9 +755,6 @@ void FixBondReact::post_integrate()
		// and probability constraint is satisfied
		// if other atom is owned by another proc, it should do same thing

		int **bond_type = atom->bond_type;
		int newton_bond = force->newton_bond;

		int temp_ncreate = 0;
		for (int i = 0; i < nlocal; i++) {
		if (partner[i] == 0) {
		@@ -882,10 +876,6 @@ void FixBondReact::superimpose_algorithm()
		// 'trace' retraces the first nieghbors
		// trace: once you choose a first neighbor, you then check for other nieghbors of same type

		int **nspecial = atom->nspecial;
		tagint **special = atom->special;
		int *type = atom->type;

		if (attempted_rxn == 1) {
		memory->destroy(restore_pt);
		memory->destroy(restore);
		@@ -1021,11 +1011,9 @@ void FixBondReact::superimpose_algorithm()

		void FixBondReact::make_a_guess()
		{

		int **nspecial = atom->nspecial;
		tagint **special = atom->special;
		int *type = atom->type;
		int *mask = atom->mask;
		int nfirst_neighs = onemol->nspecial[pion][0];

		// per-atom property indicating if in bond/react master group
		@@ -1124,19 +1112,14 @@ void FixBondReact::make_a_guess()

		void FixBondReact::neighbor_loop()
		{

		int **nspecial = atom->nspecial;
		tagint **special = atom->special;
		int *type = atom->type;

		int nfirst_neighs = onemol->nspecial[pion][0];

		if (status == RESTORE) {
		check_a_neighbor();
		return;
		} else neigh = 0;
		}

		for (neigh; neigh < nfirst_neighs; neigh++) {
		for (neigh = 0; neigh < nfirst_neighs; neigh++) {
		if (glove[(int)onemol->special[pion][neigh]-1][0] == 0) {
		check_a_neighbor();
		}
		@@ -1153,7 +1136,6 @@ void FixBondReact::neighbor_loop()

		void FixBondReact::check_a_neighbor()
		{

		int **nspecial = atom->nspecial;
		tagint **special = atom->special;
		int *type = atom->type;
		@@ -1266,18 +1248,14 @@ void FixBondReact::check_a_neighbor()

		void FixBondReact::crosscheck_the_neighbor()
		{
		int **nspecial = atom->nspecial;
		tagint **special = atom->special;
		int *type = atom->type;

		int nfirst_neighs = onemol->nspecial[pion][0];

		if (status == RESTORE) {
		inner_crosscheck_loop();
		return;
		} else trace = 0;
		}

		for (trace; trace < nfirst_neighs; trace++) {
		for (trace = 0; trace < nfirst_neighs; trace++) {
		if (neigh!=trace && onemol->type[(int)onemol->special[pion][neigh]-1] == onemol->type[(int)onemol->special[pion][trace]-1] &&
		glove[onemol->special[pion][trace]-1][0] == 0) {

		@@ -1314,7 +1292,6 @@ void FixBondReact::crosscheck_the_neighbor()

		void FixBondReact::inner_crosscheck_loop()
		{
		int **nspecial = atom->nspecial;
		tagint **special = atom->special;
		int *type = atom->type;
		// arbitrarily limited to 5 identical first neighbors
		@@ -1689,7 +1666,6 @@ void FixBondReact::unlimit_bond()
		int index3 = atom->find_custom("react_tags",flag);
		int *i_react_tags = atom->ivector[index3];

		int num2unlimit = 0;
		for (int i = 0; i < atom->nlocal; i++) {
		if (i_limit_tags[i] != 0 && (update->ntimestep + 1 - i_limit_tags[i]) > limit_duration[i_react_tags[i]]) {
		i_limit_tags[i] = 0;
		@@ -1815,11 +1791,9 @@ update charges, types, special lists and all topology

		void FixBondReact::update_everything()
		{
		tagint *tag = atom->tag;
		int *type = atom->type;

		int nlocal = atom->nlocal;
		int nall = nlocal + atom->nghost;
		int **nspecial = atom->nspecial;
		tagint **special = atom->special;

		@@ -2280,7 +2254,6 @@ read superimpose file

		void FixBondReact::read(int myrxn)
		{
		int i;
		char line[MAXLINE],keyword[MAXLINE];
		char eof,ptr;

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