(0fbc4872) · Commits · 郑智淋 / lammps

src/neighbor.cpp

+20 −8

Original line number	Diff line number	Diff line
		@@ -402,8 +402,12 @@ void Neighbor::init()
		else exclude = 1;

		if (nex_type) {
		if (lmp->kokkos)
		init_ex_type_kokkos(n);
		else {
		memory->destroy(ex_type);
		memory->create(ex_type,n+1,n+1,"neigh:ex_type");
		}

		for (i = 1; i <= n; i++)
		for (j = 1; j <= n; j++)
		@@ -419,10 +423,14 @@ void Neighbor::init()
		}

		if (nex_group) {
		if (lmp->kokkos)
		init_ex_bit_kokkos();
		else {
		delete [] ex1_bit;
		delete [] ex2_bit;
		ex1_bit = new int[nex_group];
		ex2_bit = new int[nex_group];
		}

		for (i = 0; i < nex_group; i++) {
		ex1_bit[i] = group->bitmask[ex1_group[i]];
		@@ -431,8 +439,12 @@ void Neighbor::init()
		}

		if (nex_mol) {
		if (lmp->kokkos)
		init_ex_mol_bit_kokkos();
		else {
		delete [] ex_mol_bit;
		ex_mol_bit = new int[nex_mol];
		}

		for (i = 0; i < nex_mol; i++)
		ex_mol_bit[i] = group->bitmask[ex_mol_group[i]];

+3 −0

Original line number	Diff line number	Diff line
		@@ -187,6 +187,9 @@ class Neighbor : protected Pointers {
		virtual int init_lists_kokkos() {return 0;}
		virtual void init_list_flags1_kokkos(int) {}
		virtual void init_list_flags2_kokkos(int) {}
		virtual void init_ex_type_kokkos(int) {}
		virtual void init_ex_bit_kokkos() {}
		virtual void init_ex_mol_bit_kokkos() {}
		virtual void init_list_grow_kokkos(int) {}
		virtual void build_kokkos(int) {}
		virtual void setup_bins_kokkos(int) {}