ICODE-ADC/lammps
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silence compiler warnings. avoid uninitialized access.

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This commit is contained in:
Axel Kohlmeyer
2022-03-18 20:02:49 -04:00
parent 4f3a9f9b63
commit 88ac22cd62
5 changed files with 5 additions and 7 deletions
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2
src/ML-IAP/mliap_descriptor_snap.cpp
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@ -416,7 +416,7 @@ void MLIAPDescriptorSNAP::read_paramfile(char *paramfilename)
if ((keywd == "elems") || (keywd == "radelems") || (keywd == "welems") || if ((keywd == "elems") || (keywd == "radelems") || (keywd == "welems") ||
(keywd == "rinnerelems") || (keywd == "drinnerelems")) { (keywd == "rinnerelems") || (keywd == "drinnerelems")) {
if ((nelementsflag == 0) || (words.count() != nelements + 1)) if ((nelementsflag == 0) || ((int)words.count() != nelements + 1))
error->all(FLERR, "Incorrect SNAP parameter file"); error->all(FLERR, "Incorrect SNAP parameter file");
if (comm->me == 0) utils::logmesg(lmp, "SNAP keyword {} \n", utils::trim(line)); if (comm->me == 0) utils::logmesg(lmp, "SNAP keyword {} \n", utils::trim(line));

2
src/ML-SNAP/compute_snap.cpp
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@ -35,7 +35,7 @@ enum{SCALAR,VECTOR,ARRAY};
ComputeSnap::ComputeSnap(LAMMPS *lmp, int narg, char **arg) : ComputeSnap::ComputeSnap(LAMMPS *lmp, int narg, char **arg) :
Compute(lmp, narg, arg), cutsq(nullptr), list(nullptr), snap(nullptr), Compute(lmp, narg, arg), cutsq(nullptr), list(nullptr), snap(nullptr),
snapall(nullptr), snap_peratom(nullptr), radelem(nullptr), wjelem(nullptr), snapall(nullptr), snap_peratom(nullptr), radelem(nullptr), wjelem(nullptr),
snaptr(nullptr), rinnerelem(nullptr), drinnerelem(nullptr) rinnerelem(nullptr), drinnerelem(nullptr), snaptr(nullptr)
{ {
array_flag = 1; array_flag = 1;

2
src/compute_temp_deform.cpp
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@ -63,8 +63,6 @@ ComputeTempDeform::~ComputeTempDeform()
void ComputeTempDeform::init() void ComputeTempDeform::init()
{ {
int i;
// check fix deform remap settings // check fix deform remap settings
auto fixes = modify->get_fix_by_style("^deform"); auto fixes = modify->get_fix_by_style("^deform");

1
src/dump_local.cpp
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@ -435,7 +435,6 @@ void DumpLocal::parse_fields(int narg, char **arg)
vtype[iarg] = Dump::INT; vtype[iarg] = Dump::INT;
} else { } else {
int n;
ArgInfo argi(arg[iarg],ArgInfo::COMPUTE|ArgInfo::FIX); ArgInfo argi(arg[iarg],ArgInfo::COMPUTE|ArgInfo::FIX);
computefixflag = 1; computefixflag = 1;
vtype[iarg] = Dump::DOUBLE; vtype[iarg] = Dump::DOUBLE;

5
src/finish.cpp
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@ -459,6 +459,7 @@ void Finish::end(int flag)
time3d,fraction,flop3,flop1); time3d,fraction,flop3,flop1);
} }
nneigh = nneighfull = 0;
if (histoflag) { if (histoflag) {
std::string mesg = "\n"; std::string mesg = "\n";
tmp = atom->nlocal; tmp = atom->nlocal;
@ -479,7 +480,7 @@ void Finish::end(int flag)
mesg += "\n"; mesg += "\n";
} }
tmp = neighbor->get_nneigh_half(); tmp = nneigh = neighbor->get_nneigh_half();
if (tmp < 0.0) tmp = 0.0; if (tmp < 0.0) tmp = 0.0;
stats(1,&tmp,&ave,&max,&min,10,histo); stats(1,&tmp,&ave,&max,&min,10,histo);
if (me == 0) { if (me == 0) {
@ -489,7 +490,7 @@ void Finish::end(int flag)
mesg += "\n"; mesg += "\n";
} }
tmp = neighbor->get_nneigh_full(); tmp = nneighfull = neighbor->get_nneigh_full();
if (tmp >= 0.0) { if (tmp >= 0.0) {
stats(1,&tmp,&ave,&max,&min,10,histo); stats(1,&tmp,&ave,&max,&min,10,histo);
if (me == 0) { if (me == 0) {