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remove dead code, avoid uninitialized access

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This commit is contained in:
Axel Kohlmeyer
2025-06-15 05:25:19 -04:00
parent a6b30c35ac
commit d95d97db28
2 changed files with 4 additions and 10 deletions
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2
src/molecule.cpp
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@ -356,7 +356,6 @@ void Molecule::from_json(const std::string &molid, const json &moldata)
if (moldata.contains("body") && (moldata["body"].size() == 2)) { if (moldata.contains("body") && (moldata["body"].size() == 2)) {
bodyflag = 1; bodyflag = 1;
const double scale5 = powint(sizescale, 5);
avec_body = dynamic_cast<AtomVecBody *>(atom->style_match("body")); avec_body = dynamic_cast<AtomVecBody *>(atom->style_match("body"));
if (!avec_body) if (!avec_body)
error->all(FLERR, Error::NOLASTLINE, error->all(FLERR, Error::NOLASTLINE,
@ -2709,7 +2708,6 @@ void Molecule::special_generate()
if (newton_bond) { if (newton_bond) {
for (int i = 0; i < natoms; i++) { for (int i = 0; i < natoms; i++) {
for (int j = 0; j < num_bond[i]; j++) { for (int j = 0; j < num_bond[i]; j++) {
atom1 = i;
atom2 = bond_atom[i][j] - 1; atom2 = bond_atom[i][j] - 1;
nspecial[i][0]++; nspecial[i][0]++;
nspecial[atom2][0]++; nspecial[atom2][0]++;

12
src/set.cpp
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@ -658,7 +658,7 @@ void Set::setrandom(int keyword, Action *action)
bigint allcount; bigint allcount;
MPI_Allreduce(&bcount,&allcount,1,MPI_LMP_BIGINT,MPI_SUM,world); MPI_Allreduce(&bcount,&allcount,1,MPI_LMP_BIGINT,MPI_SUM,world);
bigint nsubset; bigint nsubset = 0;
if (keyword == TYPE_RATIO) { if (keyword == TYPE_RATIO) {
double fraction = action->dvalue1; double fraction = action->dvalue1;
nsubset = static_cast<bigint> (fraction * allcount); nsubset = static_cast<bigint> (fraction * allcount);
@ -2328,8 +2328,6 @@ void Set::process_spin_electron(int &iarg, int narg, char **arg, Action *action)
void Set::invoke_spin_electron(Action *action) void Set::invoke_spin_electron(Action *action)
{ {
int nlocal = atom->nlocal; int nlocal = atom->nlocal;
int *spin = atom->spin;
int varflag = action->varflag; int varflag = action->varflag;
int ispin; int ispin;
if (!action->varflag1) ispin = action->ivalue1; if (!action->varflag1) ispin = action->ivalue1;
@ -2457,8 +2455,6 @@ void Set::process_tri(int &iarg, int narg, char **arg, Action *action)
void Set::invoke_tri(Action *action) void Set::invoke_tri(Action *action)
{ {
int nlocal = atom->nlocal; int nlocal = atom->nlocal;
int *tri = atom->tri;
auto avec_tri = dynamic_cast<AtomVecTri *>(atom->style_match("tri")); auto avec_tri = dynamic_cast<AtomVecTri *>(atom->style_match("tri"));
int varflag = action->varflag; int varflag = action->varflag;
@ -2510,16 +2506,16 @@ void Set::invoke_type(Action *action)
int *type = atom->type; int *type = atom->type;
int varflag = action->varflag; int varflag = action->varflag;
int itype; int itype = 0;
if (!action->varflag1) itype = action->ivalue1; if (!action->varflag1) itype = action->ivalue1;
for (int i = 0; i < nlocal; i++) { for (int i = 0; i < nlocal; i++) {
if (!select[i]) continue; if (!select[i]) continue;
if (action->varflag) { if (varflag) {
itype = static_cast<int> (vec1[i]); itype = static_cast<int> (vec1[i]);
if (itype <= 0 || itype > atom->ntypes) if (itype <= 0 || itype > atom->ntypes)
error->one(FLERR,"Invalid atom type in set command"); error->one(FLERR, Error::NOLASTLINE, "Invalid atom type in set command");
} }
type[i] = itype; type[i] = itype;