(9c950308) · Commits · 郑智淋 / lammps

src/min_cg.cpp

+4 −2

Original line number	Diff line number	Diff line
		@@ -337,8 +337,10 @@ void MinCG::iterate(int n)
		void MinCG::setup_vectors()
		{
		ndof = 3 * atom->nlocal;
		g = ((FixMinimize *) modify->fix[ifix_minimize])->gradient[0];
		h = ((FixMinimize *) modify->fix[ifix_minimize])->searchdir[0];
		if (ndof) g = ((FixMinimize *) modify->fix[ifix_minimize])->gradient[0];
		else g = NULL;
		if (ndof) h = ((FixMinimize *) modify->fix[ifix_minimize])->searchdir[0];
		else h = NULL;
		}

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