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add more accessor functions

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This commit is contained in:
Axel Kohlmeyer
2022-03-05 21:08:25 -05:00
parent f1d695299e
commit ffb367663d
2 changed files with 32 additions and 17 deletions
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35
src/neigh_request.cpp
View File

@ -98,8 +98,7 @@ NeighRequest::NeighRequest(LAMMPS *_lmp) : Pointers(_lmp)
/* ---------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- */
NeighRequest::NeighRequest(LAMMPS *_lmp, int idx, void *ptr, int num) NeighRequest::NeighRequest(LAMMPS *_lmp, int idx, void *ptr, int num) : NeighRequest(_lmp)
: NeighRequest(_lmp)
{ {
index = idx; index = idx;
requestor = ptr; requestor = ptr;
@ -108,10 +107,9 @@ NeighRequest::NeighRequest(LAMMPS *_lmp, int idx, void *ptr, int num)
/* ---------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- */
NeighRequest::NeighRequest(NeighRequest *old) NeighRequest::NeighRequest(NeighRequest *old) : NeighRequest(old->lmp)
: NeighRequest(old->lmp)
{ {
copy_request(old,1); copy_request(old, 1);
} }
/* ---------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- */
@ -242,19 +240,19 @@ void NeighRequest::copy_request(NeighRequest *other, int skipflag)
if (!skipflag) return; if (!skipflag) return;
int i, j; int i, j;
int ntypes = atom->ntypes; int ntp1 = atom->ntypes + 1;
skip = other->skip; skip = other->skip;
if (other->iskip) { if (other->iskip) {
iskip = new int[ntypes + 1]; iskip = new int[ntp1];
for (i = 1; i <= ntypes; i++) iskip[i] = other->iskip[i]; for (i = 1; i < ntp1; i++) iskip[i] = other->iskip[i];
} }
if (other->ijskip) { if (other->ijskip) {
memory->create(ijskip, ntypes + 1, ntypes + 1, "neigh_request:ijskip"); memory->create(ijskip, ntp1, ntp1, "neigh_request:ijskip");
for (i = 1; i <= ntypes; i++) for (i = 1; i < ntp1; i++)
for (j = 1; j <= ntypes; j++) ijskip[i][j] = other->ijskip[i][j]; for (j = 1; j < ntp1; j++) ijskip[i][j] = other->ijskip[i][j];
} }
} }
@ -266,17 +264,20 @@ void NeighRequest::apply_flags(int flags)
half = 0; half = 0;
full = 1; full = 1;
} }
// clang-format off
if (flags & REQ_GHOST) { ghost = 1; } if (flags & REQ_GHOST) { ghost = 1; }
if (flags & REQ_SIZE) { size = 1; } if (flags & REQ_SIZE) { size = 1; }
if (flags & REQ_HISTORY) { history = 1; } if (flags & REQ_HISTORY) { history = 1; }
if (flags & REQ_OCCASIONAL) { occasional = 1; } if (flags & REQ_OCCASIONAL) { occasional = 1; }
if (flags & REQ_RESPA_INOUT) { respainner = respaouter = 1; } if (flags & REQ_RESPA_INOUT) { respainner = respaouter = 1; }
if (flags & REQ_RESPA_ALL) { respainner = respamiddle = respaouter = 1; } if (flags & REQ_RESPA_ALL) { respainner = respamiddle = respaouter = 1; }
// clang-format on
} }
/* ---------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- */
void NeighRequest::set_id(int _id) { void NeighRequest::set_id(int _id)
{
id = _id; id = _id;
} }
@ -285,3 +286,13 @@ void NeighRequest::set_cutoff(double _cutoff)
cut = 1; cut = 1;
cutoff = _cutoff; cutoff = _cutoff;
} }
void NeighRequest::set_kokkos_device(int flag)
{
kokkos_device = flag;
}
void NeighRequest::set_kokkos_host(int flag)
{
kokkos_host = flag;
}

4
src/neigh_request.h
View File

@ -123,7 +123,11 @@ class NeighRequest : protected Pointers {
void apply_flags(int); void apply_flags(int);
void set_id(int); void set_id(int);
void set_kokkos_device(int);
void set_kokkos_host(int);
void set_cutoff(double); void set_cutoff(double);
int get_size() const { return size; }
}; };
} // namespace LAMMPS_NS } // namespace LAMMPS_NS