make default argument of virtual function Neighbor::build() explicit (99d5957a) · Commits · 郑智淋 / lammps

src/KOKKOS/verlet_kokkos.cpp

+3 −3

Original line number	Diff line number	Diff line
		@@ -119,7 +119,7 @@ void VerletKokkos::setup(int flag)

		atomKK->modified(Host,ALL_MASK);

		neighbor->build();
		neighbor->build(1);
		neighbor->ncalls = 0;

		// compute all forces
		@@ -222,7 +222,7 @@ void VerletKokkos::setup_minimal(int flag)

		atomKK->modified(Host,ALL_MASK);

		neighbor->build();
		neighbor->build(1);
		neighbor->ncalls = 0;
		}

		@@ -378,7 +378,7 @@ void VerletKokkos::run(int n)
		modify->pre_neighbor();
		timer->stamp(Timer::MODIFY);
		}
		neighbor->build();
		neighbor->build(1);
		timer->stamp(Timer::NEIGH);
		}

+5 −5

Original line number	Diff line number	Diff line
		@@ -316,7 +316,7 @@ void FixAtomSwap::pre_exchange()
		comm->borders();
		if (domain->triclinic) domain->lamda2x(atom->nlocal+atom->nghost);
		if (modify->n_pre_neighbor) modify->pre_neighbor();
		neighbor->build();
		neighbor->build(1);

		energy_stored = energy_full();

		@@ -366,7 +366,7 @@ int FixAtomSwap::attempt_semi_grand()
		comm->borders();
		if (domain->triclinic) domain->lamda2x(atom->nlocal+atom->nghost);
		if (modify->n_pre_neighbor) modify->pre_neighbor();
		neighbor->build();
		neighbor->build(1);
		} else {
		comm->forward_comm_fix(this);
		}
		@@ -408,7 +408,7 @@ int FixAtomSwap::attempt_semi_grand()
		comm->borders();
		if (domain->triclinic) domain->lamda2x(atom->nlocal+atom->nghost);
		if (modify->n_pre_neighbor) modify->pre_neighbor();
		neighbor->build();
		neighbor->build(1);
		} else {
		comm->forward_comm_fix(this);
		}
		@@ -447,7 +447,7 @@ int FixAtomSwap::attempt_swap()
		comm->borders();
		if (domain->triclinic) domain->lamda2x(atom->nlocal+atom->nghost);
		if (modify->n_pre_neighbor) modify->pre_neighbor();
		neighbor->build();
		neighbor->build(1);
		} else {
		comm->forward_comm_fix(this);
		}
		@@ -489,7 +489,7 @@ int FixAtomSwap::attempt_swap()
		comm->borders();
		if (domain->triclinic) domain->lamda2x(atom->nlocal+atom->nghost);
		if (modify->n_pre_neighbor) modify->pre_neighbor();
		neighbor->build();
		neighbor->build(1);
		} else {
		comm->forward_comm_fix(this);
		}

+1 −1

Original line number	Diff line number	Diff line
		@@ -2250,7 +2250,7 @@ double FixGCMC::energy_full()
		comm->borders();
		if (triclinic) domain->lamda2x(atom->nlocal+atom->nghost);
		if (modify->n_pre_neighbor) modify->pre_neighbor();
		neighbor->build();
		neighbor->build(1);
		int eflag = 1;
		int vflag = 0;

+1 −1

Original line number	Diff line number	Diff line
		@@ -344,7 +344,7 @@ void VerletSplit::run(int n)
		if (triclinic) domain->lamda2x(atom->nlocal+atom->nghost);
		timer->stamp(Timer::COMM);
		if (n_pre_neighbor) modify->pre_neighbor();
		neighbor->build();
		neighbor->build(1);
		timer->stamp(Timer::NEIGH);
		}
		}

+2 −2

Original line number	Diff line number	Diff line
		@@ -142,7 +142,7 @@ void VerletLRTIntel::setup(int flag)
		domain->image_check();
		domain->box_too_small_check();
		modify->setup_pre_neighbor();
		neighbor->build();
		neighbor->build(1);
		neighbor->ncalls = 0;

		// compute all forces
		@@ -276,7 +276,7 @@ void VerletLRTIntel::run(int n)
		modify->pre_neighbor();
		timer->stamp(Timer::MODIFY);
		}
		neighbor->build();
		neighbor->build(1);
		timer->stamp(Timer::NEIGH);
		}