Adding square roots to inf norm instances in min.cpp (f159c57f) · Commits · 郑智淋 / lammps

src/min.cpp

+3 −3

Original line number	Original line	Diff line number	Diff line
	@@ -341,7 +341,7 @@ void Min::setup(int flag)

	einitial = ecurrent;		einitial = ecurrent;
	fnorm2_init = sqrt(fnorm_sqr());		fnorm2_init = sqrt(fnorm_sqr());
	fnorminf_init = fnorm_inf();		fnorminf_init = sqrt(fnorm_inf());
	}		}

	/* ----------------------------------------------------------------------		/* ----------------------------------------------------------------------
	@@ -422,7 +422,7 @@ void Min::setup_minimal(int flag)

	einitial = ecurrent;		einitial = ecurrent;
	fnorm2_init = sqrt(fnorm_sqr());		fnorm2_init = sqrt(fnorm_sqr());
	fnorminf_init = fnorm_inf();		fnorminf_init = sqrt(fnorm_inf());
	}		}

	/* ----------------------------------------------------------------------		/* ----------------------------------------------------------------------
	@@ -477,7 +477,7 @@ void Min::cleanup()

	efinal = ecurrent;		efinal = ecurrent;
	fnorm2_final = sqrt(fnorm_sqr());		fnorm2_final = sqrt(fnorm_sqr());
	fnorminf_final = fnorm_inf();		fnorminf_final = sqrt(fnorm_inf());

	// reset reneighboring criteria		// reset reneighboring criteria