move enum{NSQ,BIN,MULTI} to the Neighbor class in neighbor.h (994fd2af) · Commits · 郑智淋 / lammps

src/KOKKOS/nbin_kokkos.cpp

+0 −2

Original line number	Diff line number	Diff line
		@@ -23,8 +23,6 @@

		using namespace LAMMPS_NS;

		enum{NSQ,BIN,MULTI}; // also in Neighbor

		#define SMALL 1.0e-6
		#define CUT2BIN_RATIO 100

+0 −2

+2 −4

Original line number	Diff line number	Diff line
		@@ -33,8 +33,6 @@

		using namespace LAMMPS_NS;

		enum{NSQ,BIN,MULTI}; // also in neigh_list.cpp

		/* ---------------------------------------------------------------------- */

		NeighborKokkos::NeighborKokkos(LAMMPS *lmp) : Neighbor(lmp),
		@@ -98,7 +96,7 @@ void NeighborKokkos::init_cutneighsq_kokkos(int n)

		void NeighborKokkos::create_kokkos_list(int i)
		{
		if (style != BIN)
		if (style != Neighbor::BIN)
		error->all(FLERR,"KOKKOS package only supports 'bin' neighbor lists");

		if (requests[i]->kokkos_device) {
		@@ -300,7 +298,7 @@ void NeighborKokkos::build_kokkos(int topoflag)
		// if bin then, atoms may have moved outside of proc domain & bin extent,
		// leading to errors or even a crash

		if (style != NSQ) {
		if (style != Neighbor::NSQ) {
		for (int i = 0; i < nbin; i++) {
		neigh_bin[i]->bin_atoms_setup(nall);
		neigh_bin[i]->bin_atoms();

+1 −3

Original line number	Diff line number	Diff line
		@@ -55,8 +55,6 @@ using namespace FixConst;
		#endif
		#endif

		enum{NSQ,BIN,MULTI};

		/* ---------------------------------------------------------------------- */

		FixIntel::FixIntel(LAMMPS lmp, int narg, char *arg) : Fix(lmp, narg, arg)
		@@ -353,7 +351,7 @@ void FixIntel::init()

		void FixIntel::setup(int vflag)
		{
		if (neighbor->style != BIN)
		if (neighbor->style != Neighbor::BIN)
		error->all(FLERR,
		"Currently, neighbor style BIN must be used with Intel package.");
		if (neighbor->exclude_setting() != 0)

+1 −3

Original line number	Diff line number	Diff line
		@@ -22,8 +22,6 @@

		using namespace LAMMPS_NS;

		enum{NSQ,BIN,MULTI}; // also in Neighbor

		#define SMALL 1.0e-6
		#define CUT2BIN_RATIO 100

		@@ -94,7 +92,7 @@ void NBinStandard::setup_bins(int style)

		double binsize_optimal;
		if (binsizeflag) binsize_optimal = binsize_user;
		else if (style == BIN) binsize_optimal = 0.5*cutneighmax;
		else if (style == Neighbor::BIN) binsize_optimal = 0.5*cutneighmax;
		else binsize_optimal = 0.5*cutneighmin;
		if (binsize_optimal == 0.0) binsize_optimal = bbox[0];
		double binsizeinv = 1.0/binsize_optimal;