ICODE-ADC/lammps
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make calls to virtual functions from constructors explicit

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This commit is contained in:
Axel Kohlmeyer
2021-08-13 05:50:44 -04:00
parent 0928c912c0
commit 3e99e24f41
6 changed files with 8 additions and 13 deletions
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5
src/GRANULAR/fix_wall_gran.cpp
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@ -437,7 +437,7 @@ FixWallGran::FixWallGran(LAMMPS *lmp, int narg, char **arg) :
// register with Atom class // register with Atom class
history_one = nullptr; history_one = nullptr;
grow_arrays(atom->nmax); FixWallGran::grow_arrays(atom->nmax);
atom->add_callback(Atom::GROW); atom->add_callback(Atom::GROW);
atom->add_callback(Atom::RESTART); atom->add_callback(Atom::RESTART);
@ -1555,8 +1555,7 @@ double FixWallGran::memory_usage()
void FixWallGran::grow_arrays(int nmax) void FixWallGran::grow_arrays(int nmax)
{ {
if (use_history) memory->grow(history_one,nmax,size_history, if (use_history) memory->grow(history_one,nmax,size_history,"fix_wall_gran:history_one");
"fix_wall_gran:history_one");
if (peratom_flag) { if (peratom_flag) {
memory->grow(array_atom,nmax,size_peratom_cols,"fix_wall_gran:array_atom"); memory->grow(array_atom,nmax,size_peratom_cols,"fix_wall_gran:array_atom");
} }

5
src/GRANULAR/fix_wall_gran_region.cpp
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@ -62,7 +62,7 @@ FixWallGranRegion::FixWallGranRegion(LAMMPS *lmp, int narg, char **arg) :
ncontact = nullptr; ncontact = nullptr;
walls = nullptr; walls = nullptr;
history_many = nullptr; history_many = nullptr;
grow_arrays(atom->nmax); FixWallGranRegion::grow_arrays(atom->nmax);
// initialize shear history as if particle is not touching region // initialize shear history as if particle is not touching region
@ -355,8 +355,7 @@ void FixWallGranRegion::grow_arrays(int nmax)
if (use_history) { if (use_history) {
memory->grow(ncontact,nmax,"fix_wall_gran:ncontact"); memory->grow(ncontact,nmax,"fix_wall_gran:ncontact");
memory->grow(walls,nmax,tmax,"fix_wall_gran:walls"); memory->grow(walls,nmax,tmax,"fix_wall_gran:walls");
memory->grow(history_many,nmax,tmax,size_history, memory->grow(history_many,nmax,tmax,size_history,"fix_wall_gran:history_many");
"fix_wall_gran:history_many");
} }
if (peratom_flag) if (peratom_flag)
memory->grow(array_atom,nmax,size_peratom_cols,"fix_wall_gran:array_atom"); memory->grow(array_atom,nmax,size_peratom_cols,"fix_wall_gran:array_atom");

2
src/MANYBODY/pair_tersoff_table.cpp
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@ -91,7 +91,7 @@ PairTersoffTable::~PairTersoffTable()
memory->destroy(cutsq); memory->destroy(cutsq);
} }
deallocateGrids(); deallocateGrids();
deallocatePreLoops(); PairTersoffTable::deallocatePreLoops();
} }
/* ---------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- */

2
src/OPENMP/pair_tersoff_table_omp.cpp
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@ -53,7 +53,7 @@ PairTersoffTableOMP::PairTersoffTableOMP(LAMMPS *lmp) :
PairTersoffTableOMP::~PairTersoffTableOMP() PairTersoffTableOMP::~PairTersoffTableOMP()
{ {
if (allocated) { if (allocated) {
deallocatePreLoops(); PairTersoffTableOMP::deallocatePreLoops();
} }
} }

2
src/REAXFF/fix_qeq_reaxff.cpp
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@ -165,7 +165,7 @@ FixQEqReaxFF::~FixQEqReaxFF()
memory->destroy(s_hist); memory->destroy(s_hist);
memory->destroy(t_hist); memory->destroy(t_hist);
deallocate_storage(); FixQEqReaxFF::deallocate_storage();
deallocate_matrix(); deallocate_matrix();
memory->destroy(shld); memory->destroy(shld);

5
src/compute_dipole.cpp
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@ -29,7 +29,7 @@ enum { MASSCENTER, GEOMCENTER };
ComputeDipole::ComputeDipole(LAMMPS *lmp, int narg, char **arg) : Compute(lmp, narg, arg) ComputeDipole::ComputeDipole(LAMMPS *lmp, int narg, char **arg) : Compute(lmp, narg, arg)
{ {
if (narg != 3) error->all(FLERR, "Illegal compute com command"); if ((narg < 3) || (narg > 4)) error->all(FLERR, "Illegal compute dipole command");
scalar_flag = 1; scalar_flag = 1;
vector_flag = 1; vector_flag = 1;
@ -39,11 +39,8 @@ ComputeDipole::ComputeDipole(LAMMPS *lmp, int narg, char **arg) : Compute(lmp, n
vector = new double[size_vector]; vector = new double[size_vector];
vector[0] = vector[1] = vector[2] = 0.0; vector[0] = vector[1] = vector[2] = 0.0;
usecenter = MASSCENTER; usecenter = MASSCENTER;
if ((narg != 3) && (narg != 4)) error->all(FLERR, "Illegal compute dipole command");
if (narg == 4) { if (narg == 4) {
if (utils::strmatch(arg[3], "^geom")) if (utils::strmatch(arg[3], "^geom"))
usecenter = GEOMCENTER; usecenter = GEOMCENTER;