cannot compare Pair::compute() vs. Pair::single for styles with coul/dsf or... (661b0ee8) · Commits · 郑智淋 / lammps

unittest/force-styles/pair_style.cpp

+11 −7

Original line number	Diff line number	Diff line
		@@ -1264,6 +1264,8 @@ TEST(PairStyle, single) {
		if (print_stats)
		std::cerr << "single_force stats:" << stats << std::endl;

		if ((test_config.pair_style.find("coul/dsf") != std::string::npos)
		&& (test_config.pair_style.find("coul/wolf") != std::string::npos)) {
		stats.reset();
		EXPECT_FP_LE_WITH_EPS(epair[0], esngl[0], epsilon);
		EXPECT_FP_LE_WITH_EPS(epair[1], esngl[1], epsilon);
		@@ -1271,6 +1273,8 @@ TEST(PairStyle, single) {
		EXPECT_FP_LE_WITH_EPS(epair[3], esngl[3], epsilon);
		if (print_stats)
		std::cerr << "single_energy stats:" << stats << std::endl;
		} else if (print_stats)
		std::cerr << "skipping single_energy test due to self energy\n";

		if (!verbose) ::testing::internal::CaptureStdout();
		cleanup_lammps(lmp,test_config);