minor optimization, avoiding double computation and extra communication (a3eee419) · Commits · 郑智淋 / lammps

src/min_cg.cpp

+1 −2

Original line number	Diff line number	Diff line
		@@ -109,11 +109,10 @@ int MinCG::iterate(int maxiter)
		dotall[1] += fextra[i]*gextra[i];
		}

		fdotf = 0.0;
		if (update->ftol > 0.0) {
		if (normstyle == MAX) fdotf = fnorm_max(); // max force norm
		else if (normstyle == INF) fdotf = fnorm_inf(); // infinite force norm
		else if (normstyle == TWO) fdotf = fnorm_sqr(); // Euclidean force 2-norm
		else if (normstyle == TWO) fdotf = dotall[0]; // Euclidean force 2-norm
		else error->all(FLERR,"Illegal min_modify command");
		if (fdotf < update->ftol*update->ftol) return FTOL;
		}