ICODE-ADC/lammps
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ensure that per-arrays are only freed if the last atom style instance is deleted

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This commit is contained in:
Axel Kohlmeyer
2020-06-22 18:59:09 -04:00
parent 3fffe20463
commit 198258766d
2 changed files with 46 additions and 34 deletions
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76
src/atom_vec.cpp
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@ -33,6 +33,8 @@ using namespace MathConst;
#define DELTA 16384
#define DELTA_BONUS 8192
int AtomVec::num_atom_vecs = 0;
/* ---------------------------------------------------------------------- */
AtomVec::AtomVec(LAMMPS *lmp) : Pointers(lmp)
@ -54,6 +56,8 @@ AtomVec::AtomVec(LAMMPS *lmp) : Pointers(lmp)
threads = NULL;
++num_atom_vecs;
// peratom variables auto-included in corresponding child style fields string
// these fields cannot be specified in the fields string
@ -93,44 +97,48 @@ AtomVec::~AtomVec()
int datatype,cols;
void *pdata;
--num_atom_vecs;
for (int i = 0; i < nargcopy; i++) delete [] argcopy[i];
delete [] argcopy;
memory->destroy(atom->tag);
memory->destroy(atom->type);
memory->destroy(atom->mask);
memory->destroy(atom->image);
memory->destroy(atom->x);
memory->destroy(atom->v);
memory->destroy(atom->f);
if (num_atom_vecs == 0) {
memory->destroy(atom->tag);
memory->destroy(atom->type);
memory->destroy(atom->mask);
memory->destroy(atom->image);
memory->destroy(atom->x);
memory->destroy(atom->v);
memory->destroy(atom->f);
for (int i = 0; i < ngrow; i++) {
pdata = mgrow.pdata[i];
datatype = mgrow.datatype[i];
cols = mgrow.cols[i];
if (datatype == Atom::DOUBLE) {
if (cols == 0)
memory->destroy(*((double **) pdata));
else if (cols > 0)
memory->destroy(*((double ***) pdata));
else {
memory->destroy(*((double ***) pdata));
}
} else if (datatype == Atom::INT) {
if (cols == 0)
memory->destroy(*((int **) pdata));
else if (cols > 0)
memory->destroy(*((int ***) pdata));
else {
memory->destroy(*((int ***) pdata));
}
} else if (datatype == Atom::BIGINT) {
if (cols == 0)
memory->destroy(*((bigint **) pdata));
else if (cols > 0)
memory->destroy(*((bigint ***) pdata));
else {
memory->destroy(*((bigint ***) pdata));
for (int i = 0; i < ngrow; i++) {
pdata = mgrow.pdata[i];
datatype = mgrow.datatype[i];
cols = mgrow.cols[i];
if (datatype == Atom::DOUBLE) {
if (cols == 0)
memory->destroy(*((double **) pdata));
else if (cols > 0)
memory->destroy(*((double ***) pdata));
else {
memory->destroy(*((double ***) pdata));
}
} else if (datatype == Atom::INT) {
if (cols == 0)
memory->destroy(*((int **) pdata));
else if (cols > 0)
memory->destroy(*((int ***) pdata));
else {
memory->destroy(*((int ***) pdata));
}
} else if (datatype == Atom::BIGINT) {
if (cols == 0)
memory->destroy(*((bigint **) pdata));
else if (cols > 0)
memory->destroy(*((bigint ***) pdata));
else {
memory->destroy(*((bigint ***) pdata));
}
}
}
}