(9a3d05a8) · Commits · 郑智淋 / lammps

src/USER-DPD/nbin_ssa.cpp

+3 −2

Original line number	Diff line number	Diff line
		@@ -100,20 +100,21 @@ void NBinSSA::bin_atoms_setup(int nall)
		{
		NBinStandard::bin_atoms_setup(nall); // Setup the parent class's data too

		// do not need to set last_bin_memory for these reallocs
		// since SSA Npair styles copy the ptrs every rebuild

		if (mbins > maxhead_ssa) {
		maxhead_ssa = mbins;
		memory->destroy(gbinhead_ssa);
		memory->destroy(binhead_ssa);
		memory->create(binhead_ssa,maxhead_ssa,"binhead_ssa");
		memory->create(gbinhead_ssa,maxhead_ssa,"gbinhead_ssa");
		last_bin_memory = update->ntimestep;
		}

		if (nall > maxbin_ssa) {
		maxbin_ssa = nall;
		memory->destroy(bins_ssa);
		memory->create(bins_ssa,maxbin_ssa,"bins_ssa");
		last_bin_memory = update->ntimestep;
		}
		}

+6 −2

Original line number	Diff line number	Diff line
		@@ -131,15 +131,19 @@ void NPair::build_setup()
		copy_bin_setup_info();
		last_copy_bin_setup = update->ntimestep;
		}
		if (nb && ((last_copy_bin < nb->last_bin_memory) \|\| (bins != nb->bins))) {
		if (nb && ((last_copy_bin < nb->last_bin_memory) \|\|
		(bins != nb->bins))) {
		copy_bin_info();
		last_copy_bin = update->ntimestep;
		}
		if (ns && ((last_copy_stencil < ns->last_create) \|\| (stencil != ns->stencil))) {
		if (ns && ((last_copy_stencil < ns->last_create) \|\|
		(stencil != ns->stencil))) {
		copy_stencil_info();
		last_copy_stencil = update->ntimestep;
		}

		// set here, since build_setup() always called before build()

		last_build = update->ntimestep;
		}