fix bud

Author: A-006

source/module_elecstate/test/elecstate_base_test.cpp

@@ -276,7 +276,6 @@ TEST_F(ElecStateTest, FixedWeights)
 {
     EXPECT_EQ(PARAM.input.nbands, 6);
     PARAM.input.nelec = 30;
-    bool skip_weights;
     K_Vectors* klist = new K_Vectors;
     klist->set_nks(5);
     elecstate->klist = klist;
@@ -287,7 +286,7 @@ TEST_F(ElecStateTest, FixedWeights)
     {
         ocp_kb[i] = 1.0;
     }
-    elecstate::fixed_weights(ocp_kb, PARAM.input.nbands, PARAM.input.nelec,klist,elecstate->wg,skip_weights);
+    elecstate::fixed_weights(ocp_kb, PARAM.input.nbands, PARAM.input.nelec,klist,elecstate->wg,elecstate->skip_weights);
     EXPECT_EQ(elecstate->wg(0, 0), 1.0);
     EXPECT_EQ(elecstate->wg(klist->get_nks() - 1, PARAM.input.nbands - 1), 1.0);
     EXPECT_TRUE(elecstate->skip_weights);
@@ -297,7 +296,6 @@ TEST_F(ElecStateDeathTest, FixedWeightsWarning1)
 {
     EXPECT_EQ(PARAM.input.nbands, 6);
     PARAM.input.nelec = 30;
-    bool skip_weights;
     K_Vectors* klist = new K_Vectors;
     klist->set_nks(5);
     elecstate->klist = klist;
@@ -309,7 +307,7 @@ TEST_F(ElecStateDeathTest, FixedWeightsWarning1)
         ocp_kb[i] = 1.0;
     }
     testing::internal::CaptureStdout();
-    EXPECT_EXIT(elecstate::fixed_weights(ocp_kb, PARAM.input.nbands, PARAM.input.nelec,klist,elecstate->wg,skip_weights),
+    EXPECT_EXIT(elecstate::fixed_weights(ocp_kb, PARAM.input.nbands, PARAM.input.nelec,klist,elecstate->wg,elecstate->skip_weights),
                 ::testing::ExitedWithCode(1),
                 "");
     output = testing::internal::GetCapturedStdout();
@@ -320,7 +318,6 @@ TEST_F(ElecStateDeathTest, FixedWeightsWarning2)
 {
     EXPECT_EQ(PARAM.input.nbands, 6);
     PARAM.input.nelec = 29;
-    bool skip_weights;
     K_Vectors* klist = new K_Vectors;
     klist->set_nks(5);
     elecstate->klist = klist;
@@ -332,7 +329,7 @@ TEST_F(ElecStateDeathTest, FixedWeightsWarning2)
         ocp_kb[i] = 1.0;
     }
     testing::internal::CaptureStdout();
-    EXPECT_EXIT(elecstate::fixed_weights(ocp_kb, PARAM.input.nbands, PARAM.input.nelec,klist,elecstate->wg,skip_weights),
+    EXPECT_EXIT(elecstate::fixed_weights(ocp_kb, PARAM.input.nbands, PARAM.input.nelec,klist,elecstate->wg,elecstate->skip_weights),
                 ::testing::ExitedWithCode(1),
                 "");
     output = testing::internal::GetCapturedStdout();

source/module_hsolver/hsolver_lcaopw.cpp

@@ -275,16 +275,14 @@ void HSolverLIP<T>::solve(hamilt::Hamilt<T>* pHamilt, // ESolver_KS_PW::p_hamilt
         eigenvalues.data(),
         pes->ekb.nr * pes->ekb.nc);
 
-    auto pes_pw = dynamic_cast<elecstate::ElecStatePW<T>*>(pes);
-    elecstate::calculate_weights(pes_pw->ekb,
-                                 pes_pw->wg,
-                                 pes_pw->klist,
-                                 pes_pw->eferm,
-                                 pes_pw->f_en,
-                                 pes_pw->nelec_spin,
-                                 pes_pw->skip_weights);
-
-    elecstate::calEBand(pes_pw->ekb,pes_pw->wg,pes_pw->f_en);
+    elecstate::calculate_weights(pes->ekb,
+                                 pes->wg,
+                                 pes->klist,
+                                 pes->eferm,
+                                 pes->f_en,
+                                 pes->nelec_spin,
+                                 pes->skip_weights);
+    elecstate::calEBand(pes->ekb,pes->wg,pes->f_en);
     if (skip_charge)
     {
         if (PARAM.globalv.use_uspp)

source/module_hsolver/test/test_hsolver_pw.cpp

@@ -267,6 +267,9 @@ TEST_F(TestHSolverPW, SolveLcaoInPW) {
     pwbk.nks = 1;
     // initial memory and data
     elecstate_test.ekb.create(1, 2);
+    elecstate_test.wg.create(1,2);
+    elecstate_test.klist=new K_Vectors;
+    elecstate_test.skip_weights=true;
     elecstate_test.pot = new elecstate::Potential;
     // 1 kpt, 2 bands, 3 basis
     psi_test_cf.resize(1, 2, 3);
@@ -300,7 +303,7 @@ TEST_F(TestHSolverPW, SolveLcaoInPW) {
     // check solve()
     elecstate_test.ekb.c[0] = 1.0;
     elecstate_test.ekb.c[1] = 2.0;
-
+    
     hsolver::HSolverLIP<std::complex<float>> hs_f_lip
         = hsolver::HSolverLIP<std::complex<float>>(&pwbk);
     hsolver::HSolverLIP<std::complex<double>> hs_d_lip