fix tests in md

mohanchen · May 13, 2024 · 4267571 · 4267571
1 parent 2c11db3
commit 4267571
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Showing 7 changed files with 10 additions and 10 deletions.
diff --git a/source/module_esolver/test/esolver_dp_test.cpp b/source/module_esolver/test/esolver_dp_test.cpp
@@ -39,7 +39,7 @@ class ESolverDPTest : public ::testing::Test
     {
         // Initialize variables before each test
         esolver = new ModuleESolver::ESolver_DP("./support/case_1.pb");
-        esolver->init(inp, ucell);
+        esolver->before_all_runners(inp, ucell);
     }
 
     void TearDown() override
@@ -85,7 +85,7 @@ TEST_F(ESolverDPTest, InitCase2)
     esolver->dp_type[0] = 0;
     esolver->dp_type[1] = 0;
     esolver->dp_file = "./support/case_2.pb";
-    esolver->init(inp, ucell);
+    esolver->before_all_runners(inp, ucell);
 
     // Check the initialized variables
     EXPECT_EQ(esolver->dp_type[0], 0);
@@ -100,7 +100,7 @@ TEST_F(ESolverDPTest, RunWarningQuit)
     int istep = 0;
 
     testing::internal::CaptureStdout();
-    EXPECT_EXIT(esolver->run(istep, ucell), ::testing::ExitedWithCode(0), "");
+    EXPECT_EXIT(esolver->runner(istep, ucell), ::testing::ExitedWithCode(0), "");
     std::string output = testing::internal::GetCapturedStdout();
     EXPECT_THAT(output, testing::HasSubstr("Please recompile with -D__DPMD"));
 }
@@ -171,7 +171,7 @@ TEST_F(ESolverDPTest, Postprocess)
 
     // Check the results
     GlobalV::ofs_running.open("log");
-    esolver->post_process();
+    esolver->after_all_runners();
     GlobalV::ofs_running.close();
 
     std::string expected_output = "\n\n --------------------------------------------\n !FINAL_ETOT_IS 133.3358404 eV\n "

diff --git a/source/module_md/test/fire_test.cpp b/source/module_md/test/fire_test.cpp
@@ -46,7 +46,7 @@ class FIREtest : public testing::Test
         Setcell::parameters();
 
         ModuleESolver::ESolver* p_esolver = new ModuleESolver::ESolver_LJ();
-        p_esolver->init(INPUT, ucell);
+        p_esolver->before_all_runners(INPUT, ucell);
 
         mdrun = new FIRE(INPUT.mdp, ucell);
         mdrun->setup(p_esolver, GlobalV::global_readin_dir);

diff --git a/source/module_md/test/langevin_test.cpp b/source/module_md/test/langevin_test.cpp
@@ -46,7 +46,7 @@ class Langevin_test : public testing::Test
         Setcell::parameters();
 
         ModuleESolver::ESolver* p_esolver = new ModuleESolver::ESolver_LJ();
-        p_esolver->init(INPUT, ucell);
+        p_esolver->before_all_runners(INPUT, ucell);
 
         mdrun = new Langevin(INPUT.mdp, ucell);
         mdrun->setup(p_esolver, GlobalV::global_readin_dir);

diff --git a/source/module_md/test/lj_pot_test.cpp b/source/module_md/test/lj_pot_test.cpp
@@ -35,7 +35,7 @@ class LJ_pot_test : public testing::Test
         Setcell::parameters();
 
         ModuleESolver::ESolver* p_esolver = new ModuleESolver::ESolver_LJ();
-        p_esolver->init(INPUT, ucell);
+        p_esolver->before_all_runners(INPUT, ucell);
         MD_func::force_virial(p_esolver, 0, ucell, potential, force, true, stress);
     }
 

diff --git a/source/module_md/test/msst_test.cpp b/source/module_md/test/msst_test.cpp
@@ -46,7 +46,7 @@ class MSST_test : public testing::Test
         Setcell::parameters();
 
         ModuleESolver::ESolver* p_esolver = new ModuleESolver::ESolver_LJ();
-        p_esolver->init(INPUT, ucell);
+        p_esolver->before_all_runners(INPUT, ucell);
 
         mdrun = new MSST(INPUT.mdp, ucell);
         mdrun->setup(p_esolver, GlobalV::global_readin_dir);

diff --git a/source/module_md/test/nhchain_test.cpp b/source/module_md/test/nhchain_test.cpp
@@ -46,7 +46,7 @@ class NHC_test : public testing::Test
         Setcell::parameters();
 
         ModuleESolver::ESolver* p_esolver = new ModuleESolver::ESolver_LJ();
-        p_esolver->init(INPUT, ucell);
+        p_esolver->before_all_runners(INPUT, ucell);
 
         INPUT.mdp.md_type = "npt";
         INPUT.mdp.md_pmode = "tri";

diff --git a/source/module_md/test/verlet_test.cpp b/source/module_md/test/verlet_test.cpp
@@ -46,7 +46,7 @@ class Verlet_test : public testing::Test
         Setcell::parameters();
 
         ModuleESolver::ESolver* p_esolver = new ModuleESolver::ESolver_LJ();
-        p_esolver->init(INPUT, ucell);
+        p_esolver->before_all_runners(INPUT, ucell);
 
         mdrun = new Verlet(INPUT.mdp, ucell);
         mdrun->setup(p_esolver, GlobalV::global_readin_dir);