change cg to lbfgs in oso_lbfgs (ee8d3ced) · Commits · 郑智淋 / lammps

src/SPIN/min_spin_oso_lbfgs.cpp

+3 −3

Changes for src/SPIN/min_spin_oso_lbfgs.cpp: 3 added lines, 3 removed lines.
Original line number	Diff line number	Diff line
		@@ -171,9 +171,9 @@ int MinSpinOSO_LBFGS::iterate(int maxiter)

		if (nlocal_max < nlocal) {
		nlocal_max = nlocal;
		memory->grow(g_old,3*nlocal_max,"min/spin/oso/cg:g_old");
		memory->grow(g_cur,3*nlocal_max,"min/spin/oso/cg:g_cur");
		memory->grow(p_s,3*nlocal_max,"min/spin/oso/cg:p_s");
		memory->grow(g_old,3*nlocal_max,"min/spin/oso/lbfgs:g_old");
		memory->grow(g_cur,3*nlocal_max,"min/spin/oso/lbfgs:g_cur");
		memory->grow(p_s,3*nlocal_max,"min/spin/oso/lbfgs:p_s");
		memory->grow(rho,num_mem,"min/spin/oso/lbfgs:rho");
		memory->grow(ds,num_mem,3*nlocal_max,"min/spin/oso/lbfgs:ds");
		memory->grow(dy,num_mem,3*nlocal_max,"min/spin/oso/lbfgs:dy");