small tweak for passing r-RESPA tests with coulomb table (385d239b) · Commits · 郑智淋 / lammps

unittest/force-styles/pair_style.cpp

+2 −2

Original line number	Original line	Diff line number	Diff line
	@@ -571,7 +571,7 @@ TEST(PairStyle, plain)
	if (!verbose) ::testing::internal::CaptureStdout();		if (!verbose) ::testing::internal::CaptureStdout();
	cleanup_lammps(lmp, test_config);		cleanup_lammps(lmp, test_config);
	lmp = init_lammps(argc, argv, test_config, false);		lmp = init_lammps(argc, argv, test_config, false);
	lmp->input->one("run_style respa 2 1 inner 1 4.0 5.0 outer 2");		lmp->input->one("run_style respa 2 1 inner 1 4.8 5.5 outer 2");
	run_lammps(lmp);		run_lammps(lmp);
	if (!verbose) ::testing::internal::GetCapturedStdout();		if (!verbose) ::testing::internal::GetCapturedStdout();

	@@ -579,7 +579,7 @@ TEST(PairStyle, plain)
	// coul/long styles do not use tabulation in compute_inner()		// coul/long styles do not use tabulation in compute_inner()
	// and compute_middle() so we get a significant deviation.		// and compute_middle() so we get a significant deviation.
	pair = lmp->force->pair;		pair = lmp->force->pair;
	if (pair->ncoultablebits) epsilon *= 1.0e6;		if (pair->ncoultablebits) epsilon *= 5.0e6;

	f = lmp->atom->f;		f = lmp->atom->f;
	tag = lmp->atom->tag;		tag = lmp->atom->tag;