update read_input_ptest.cpp and read_input_item_test.cpp

Author: PeizeLin

source/module_io/test/read_input_ptest.cpp

@@ -278,26 +278,24 @@ TEST_F(InputParaTest, ParaRead)
     EXPECT_EQ(param.inp.vdw_cutoff_period[0], 3);
     EXPECT_EQ(param.inp.vdw_cutoff_period[1], 3);
     EXPECT_EQ(param.inp.vdw_cutoff_period[2], 3);
-    EXPECT_EQ(std::stod(param.inp.exx_hybrid_alpha), 0.25);
+    EXPECT_DOUBLE_EQ(std::stod(param.inp.exx_fock_alpha[0]), 0.25);
+    EXPECT_DOUBLE_EQ(std::stod(param.inp.exx_erfc_alpha[0]), 0.25);
     EXPECT_EQ(param.inp.exx_real_number, "1");
-    EXPECT_DOUBLE_EQ(param.inp.exx_hse_omega, 0.11);
+    EXPECT_DOUBLE_EQ(std::stod(param.inp.exx_erfc_omega[0]), 0.11);
     EXPECT_TRUE(param.inp.exx_separate_loop);
     EXPECT_EQ(param.inp.exx_hybrid_step, 100);
-    EXPECT_DOUBLE_EQ(param.inp.exx_lambda, 0.3);
+    EXPECT_DOUBLE_EQ(std::stod(param.inp.exx_fock_lambda[0]), 0.3);
     EXPECT_DOUBLE_EQ(param.inp.exx_mixing_beta, 1.0);
     EXPECT_DOUBLE_EQ(param.inp.exx_pca_threshold, 0);
     EXPECT_DOUBLE_EQ(param.inp.exx_c_threshold, 0);
     EXPECT_DOUBLE_EQ(param.inp.exx_v_threshold, 0);
     EXPECT_DOUBLE_EQ(param.inp.exx_dm_threshold, 0);
-    EXPECT_DOUBLE_EQ(param.inp.exx_schwarz_threshold, 0);
-    EXPECT_DOUBLE_EQ(param.inp.exx_cauchy_threshold, 0);
     EXPECT_DOUBLE_EQ(param.inp.exx_c_grad_threshold, 0);
     EXPECT_DOUBLE_EQ(param.inp.exx_v_grad_threshold, 0);
-    EXPECT_DOUBLE_EQ(param.inp.exx_cauchy_force_threshold, 0);
-    EXPECT_DOUBLE_EQ(param.inp.exx_cauchy_stress_threshold, 0);
+    EXPECT_DOUBLE_EQ(param.inp.exx_c_grad_r_threshold, 0);
+    EXPECT_DOUBLE_EQ(param.inp.exx_v_grad_r_threshold, 0);
     EXPECT_EQ(param.inp.exx_ccp_rmesh_times, "1.5");
     EXPECT_DOUBLE_EQ(param.inp.rpa_ccp_rmesh_times, 10.0);
-    EXPECT_EQ(param.inp.exx_distribute_type, "htime");
     EXPECT_EQ(param.inp.exx_opt_orb_lmax, 0);
     EXPECT_DOUBLE_EQ(param.inp.exx_opt_orb_ecut, 0.0);
     EXPECT_DOUBLE_EQ(param.inp.exx_opt_orb_tolerence, 0.0);

source/module_io/test_serial/read_input_item_test.cpp

@@ -1264,37 +1264,31 @@ TEST_F(InputTest, Item_test2)
         EXPECT_THAT(output, testing::HasSubstr("NOTICE"));
     }
     { // exx_hybrid_alpha
-        auto it = find_label("exx_hybrid_alpha", readinput.input_lists);
-        param.input.exx_hybrid_alpha = "default";
+        auto it = find_label("exx_fock_alpha", readinput.input_lists);
+        param.input.exx_fock_alpha[0] = "default";
         param.input.dft_functional = "HF";
         it->second.reset_value(it->second, param);
-        EXPECT_EQ(param.input.exx_hybrid_alpha, "1");
+        EXPECT_EQ(param.input.exx_fock_alpha[0], "1");
 
-        param.input.exx_hybrid_alpha = "default";
+        param.input.exx_fock_alpha[0] = "default";
         param.input.dft_functional = "PBE0";
         it->second.reset_value(it->second, param);
-        EXPECT_EQ(param.input.exx_hybrid_alpha, "0.25");
+        EXPECT_EQ(param.input.exx_fock_alpha[0], "0.25");
 
-        param.input.exx_hybrid_alpha = "default";
+        param.input.exx_fock_alpha[0] = "default";
         param.input.dft_functional = "SCAN0";
         it->second.reset_value(it->second, param);
-        EXPECT_EQ(param.input.exx_hybrid_alpha, "0.25");
+        EXPECT_EQ(param.input.exx_fock_alpha[0], "0.25");
 
-        param.input.exx_hybrid_alpha = "default";
+        param.input.exx_fock_alpha[0] = "default";
         param.input.dft_functional = "HSE";
         it->second.reset_value(it->second, param);
-        EXPECT_EQ(param.input.exx_hybrid_alpha, "0.25");
+        EXPECT_EQ(param.input.exx_fock_alpha[0], "0.25");
 
-        param.input.exx_hybrid_alpha = "default";
+        param.input.exx_fock_alpha[0] = "default";
         param.input.dft_functional = "none";
         it->second.reset_value(it->second, param);
-        EXPECT_EQ(param.input.exx_hybrid_alpha, "0");
-
-        param.input.exx_hybrid_alpha = "-1";
-        testing::internal::CaptureStdout();
-        EXPECT_EXIT(it->second.check_value(it->second, param), ::testing::ExitedWithCode(1), "");
-        output = testing::internal::GetCapturedStdout();
-        EXPECT_THAT(output, testing::HasSubstr("NOTICE"));
+        EXPECT_EQ(param.input.exx_fock_alpha[0], "0");
     }
     { // exx_hybrid_step
         auto it = find_label("exx_hybrid_step", readinput.input_lists);
@@ -1349,14 +1343,6 @@ TEST_F(InputTest, Item_test2)
         output = testing::internal::GetCapturedStdout();
         EXPECT_THAT(output, testing::HasSubstr("NOTICE"));
     }
-    { // exx_distribute_type
-        auto it = find_label("exx_distribute_type", readinput.input_lists);
-        param.input.exx_distribute_type = "none";
-        testing::internal::CaptureStdout();
-        EXPECT_EXIT(it->second.check_value(it->second, param), ::testing::ExitedWithCode(1), "");
-        output = testing::internal::GetCapturedStdout();
-        EXPECT_THAT(output, testing::HasSubstr("NOTICE"));
-    }
     { // exx_opt_orb_lmax
         auto it = find_label("exx_opt_orb_lmax", readinput.input_lists);
         param.input.exx_opt_orb_lmax = -1;