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dead code removal and loop construct fixes to silence compiler warnings.

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This commit is contained in:
Axel Kohlmeyer
2018-02-22 02:23:57 -05:00
parent a8eb3ff77f
commit 8fef7880e7
1 changed files with 5 additions and 32 deletions
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37
src/USER-MISC/fix_bond_react.cpp
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@ -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;