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remove dead code and address warnings from static code analysis

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This commit is contained in:
Axel Kohlmeyer
2025-06-22 17:49:47 -04:00
parent c6478e245a
commit 1e6eeda958
7 changed files with 19 additions and 38 deletions
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3
src/APIP/atom_vec_apip.cpp
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@ -25,9 +25,6 @@ AtomVecApip::AtomVecApip(LAMMPS *lmp) : AtomVec(lmp)
mass_type = PER_TYPE;
forceclearflag = 1;
double *apip_lambda, *apip_lambda_input, *apip_lambda_input_ta, *apip_lambda_const, *apip_e_fast,
*apip_e_precise, **apip_f_const_lambda, **apip_f_dyn_lambda;
int *apip_lambda_required;
atom->apip_lambda_flag = 1;
atom->apip_lambda_input_flag = 1;
atom->apip_lambda_input_ta_flag = 1;

9
src/APIP/fix_atom_weight_apip.cpp
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@ -32,10 +32,9 @@ using namespace LAMMPS_NS;
using namespace FixConst;
FixAtomWeightAPIP::FixAtomWeightAPIP(LAMMPS *lmp, int narg, char **arg) :
Fix(lmp, narg, arg), fixstore(nullptr), time_simple_extract_name(nullptr),
time_complex_extract_name(nullptr), time_lambda_extract_name(nullptr),
time_group_extract_name(nullptr), time_group_name(nullptr), fix_lambda(nullptr),
ap_timer(nullptr)
Fix(lmp, narg, arg), time_simple_extract_name(nullptr), time_complex_extract_name(nullptr),
time_group_extract_name(nullptr), time_lambda_extract_name(nullptr), time_group_name(nullptr),
fixstore(nullptr), ap_timer(nullptr), fix_lambda(nullptr)
{
if (narg < 9) error->all(FLERR, "Illegal fix balance command");
@ -119,8 +118,6 @@ FixAtomWeightAPIP::FixAtomWeightAPIP(LAMMPS *lmp, int narg, char **arg) :
}
int useless_dim = -1;
void *extracted_ptr = nullptr;
if (time_simple_extract_name) {
if (force->pair->extract(time_simple_extract_name, useless_dim) == nullptr)
error->all(FLERR, "atom_weight/apip: simple time cannot be extracted with {} from {}",

23
src/APIP/fix_lambda_apip.cpp
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@ -46,9 +46,9 @@ static const char cite_fix_lambda_c[] =
/* ---------------------------------------------------------------------- */
FixLambdaAPIP::FixLambdaAPIP(LAMMPS *lmp, int narg, char **arg) :
Fix(lmp, narg, arg), peratom_stats(nullptr), group_name_simple(nullptr),
group_name_complex(nullptr), group_name_ignore_lambda_input(nullptr), fixstore(nullptr),
fixstore2(nullptr), pair_lambda_input(nullptr), pair_lambda_zone(nullptr)
Fix(lmp, narg, arg), pair_lambda_input(nullptr), pair_lambda_zone(nullptr), fixstore(nullptr),
fixstore2(nullptr), group_name_simple(nullptr), group_name_complex(nullptr),
group_name_ignore_lambda_input(nullptr), peratom_stats(nullptr)
{
if (lmp->citeme) lmp->citeme->add(cite_fix_lambda_c);
@ -190,12 +190,14 @@ FixLambdaAPIP::FixLambdaAPIP(LAMMPS *lmp, int narg, char **arg) :
int FixLambdaAPIP::modify_param(int narg, char **arg)
{
if (narg < 2) utils::missing_cmd_args(FLERR, "fix_modify lambda/apip", error);
cut_lo = utils::numeric(FLERR, arg[0], false, lmp);
cut_hi = utils::numeric(FLERR, arg[1], false, lmp);
cut_hi_sq = cut_hi * cut_hi;
cut_width = cut_hi - cut_lo;
if (cut_lo < 0 || cut_hi < cut_lo) error->all(FLERR, "fix lambda: Illegal cutoff values");
if (cut_lo < 0 || cut_hi < cut_lo) error->all(FLERR, "fix lambda/apip: Illegal cutoff values");
if (force->pair->cutforce < cut_hi)
error->all(FLERR, "fix lambda: cutoff of potential smaller than cutoff of switching region");
@ -538,21 +540,20 @@ void FixLambdaAPIP::update_lambda_history()
if (invoked_history2_update == update->ntimestep) return;
invoked_history2_update = update->ntimestep;
double *lambda_input_ta, **lambda_history, **lambda_input_history;
double *lambda_input_ta, **lambda_history;
int *mask;
int nlocal;
lambda_input_ta = atom->apip_lambda_input_ta;
mask = atom->mask;
lambda_history = fixstore2->astore;
lambda_input_history = fixstore->astore;
nlocal = atom->nlocal;
// update stats about written values
history2_last = (history2_last + 1) % history2_length;
history2_used = std::min(history2_used + 1, history2_length);
int tmp = 0;
for (int i = 0; i < nlocal; i++) {
if (!(mask[i] & groupbit)) continue;
@ -617,15 +618,13 @@ void FixLambdaAPIP::get_lambda_average()
void FixLambdaAPIP::calculate_lambda_input_ta()
{
int i, nlocal;
int *mask;
double *lambda_input_ta = atom->apip_lambda_input_ta;
nlocal = atom->nlocal;
mask = atom->mask;
// store time averaged lambda_input for own atoms
double **lambda_input_history = fixstore->astore;
for (i = 0; i < nlocal; i++) { lambda_input_ta[i] = lambda_input_history[i][history_length + 1]; }
for (i = 0; i < nlocal; i++) lambda_input_ta[i] = lambda_input_history[i][history_length + 1];
}
/* ----------------------------------------------------------------------
@ -740,9 +739,7 @@ void FixLambdaAPIP::write_restart(FILE *fp)
void FixLambdaAPIP::restart(char *buf)
{
int timesteps_since_invoked_history_update, history_length_br,
timesteps_since_invoked_history2_update, history2_length_br;
bigint next_file_write_calculated;
int history_length_br, history2_length_br;
int n = 0;
auto list = (double *) buf;

9
src/APIP/fix_lambda_thermostat_apip.cpp
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@ -405,15 +405,11 @@ void FixLambdaThermostatAPIP::calculate_energy_change()
void FixLambdaThermostatAPIP::apply_thermostat()
{
double xtmp, ytmp, ztmp, delx, dely, delz, delvx, delvy, delvz, r, dotvu, masstmp, massj, muij,
delv, delv_m, epsilon, epsilonsq, deltaK, rinv;
double xtmp, ytmp, ztmp, masstmp, massj;
double m_cm, v_cm[3], beta_rescaling, k_rel, v_rel[3], radicand;
int i, ii, inum, *ilist;
int j, jj, jnum, *jlist;
int nlocal = atom->nlocal;
if (igroup == atom->firstgroup) nlocal = atom->nfirst;
double **x = atom->x;
double **v = atom->v;
double *rmass = atom->rmass;
@ -421,8 +417,6 @@ void FixLambdaThermostatAPIP::apply_thermostat()
int *type = atom->type;
int *mask = atom->mask;
double *e_simple = atom->apip_e_fast;
double *e_complex = atom->apip_e_precise;
double *lambda_const = atom->apip_lambda_const;
double *lambda = atom->apip_lambda;
@ -465,7 +459,6 @@ void FixLambdaThermostatAPIP::apply_thermostat()
"particles in neighbour list particle: {} {} {} groupbit {}\n",
xtmp, ytmp, ztmp, mask[i] & groupbit);
int i_collisions = 0;
double e_remain = energy_change_atom[i];
// copy ngh list

3
src/APIP/pair_eam_apip.cpp
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@ -143,7 +143,7 @@ void PairEAMAPIP::compute(int eflag, int vflag)
int n_non_complex = 0;
int i, j, ii, jj, m, inum, jnum, itype, jtype;
double xtmp, ytmp, ztmp, delx, dely, delz, evdwl, fpair, lambda_ij, fpair_cl;
double xtmp, ytmp, ztmp, delx, dely, delz, evdwl, fpair, fpair_cl;
double rsq, r, p, rhoip, rhojp, z2, z2p, recip, phip, psip, phi, psip_cl;
double *coeff;
int *ilist, *jlist, *numneigh, **firstneigh;
@ -181,7 +181,6 @@ void PairEAMAPIP::compute(int eflag, int vflag)
}
int *type = atom->type;
int nlocal = atom->nlocal;
int nall = nlocal + atom->nghost;
int newton_pair = force->newton_pair;
inum = list->inum;

2
src/APIP/pair_lambda_input_csp_apip.cpp
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@ -265,7 +265,7 @@ void PairLambdaInputCSPAPIP::select(int k, int n, double *arr)
void PairLambdaInputCSPAPIP::select2(int k, int n, double *arr, int *iarr)
{
int i, ir, j, l, mid, ia, itmp;
int i, ir, j, l, mid, ia;
double a;
arr--;

8
src/APIP/pair_lambda_zone_apip.cpp
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@ -28,8 +28,7 @@ using namespace LAMMPS_NS;
/* ---------------------------------------------------------------------- */
PairLambdaZoneAPIP::PairLambdaZoneAPIP(LAMMPS *lmp) :
Pair(lmp), lambda_ta(nullptr), cut(nullptr)
PairLambdaZoneAPIP::PairLambdaZoneAPIP(LAMMPS *lmp) : Pair(lmp), cut(nullptr), lambda_ta(nullptr)
{
// set defaults
@ -140,7 +139,7 @@ void PairLambdaZoneAPIP::init_style()
error->all(FLERR, "pair_lambda_zone requires an atom style with lambda_input_ta");
// find fix lambda/apip
class Fix * fix_lambda = nullptr;
class Fix *fix_lambda = nullptr;
int count = 0;
for (int i = 0; i < modify->nfix; i++) {
if (strcmp(modify->fix[i]->style, "lambda/apip") == 0) {
@ -186,7 +185,7 @@ void PairLambdaZoneAPIP::calculate_lambda()
double xtmp, ytmp, ztmp, delx, dely, delz, lambda_tmp, rsq, lambda_new;
double **x, *lambda_input_ta;
int allnum, ii, i, nlocal, nall, jnum, j, jj, loop_iterations;
int allnum, ii, i, nlocal, jnum, j, jj, loop_iterations;
int *ilist, *mask, *jlist, *numneigh, **firstneigh;
mask = atom->mask;
@ -194,7 +193,6 @@ void PairLambdaZoneAPIP::calculate_lambda()
lambda_input_ta = atom->apip_lambda_input_ta;
nlocal = atom->nlocal;
nall = nlocal + atom->nghost;
if (nlocal > nmax_ta) {
memory->destroy(lambda_ta);