[pre-commit.ci lite] apply automatic fixes

maki49 · Jul 23, 2024 · dee36c9 · dee36c9
1 parent e3c525b
commit dee36c9
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Showing 5 changed files with 26 additions and 16 deletions.
diff --git a/source/module_hamilt_general/module_xc/test/test_xc1.cpp b/source/module_hamilt_general/module_xc/test/test_xc1.cpp
@@ -18,7 +18,7 @@ namespace ModuleBase
 namespace GlobalV
 {
     std::string BASIS_TYPE = "";
-    bool CAL_STRESS = 0;
+    bool CAL_STRESS = false;
     int CAL_FORCE = 0;
     int NSPIN = 1;
 }

diff --git a/source/module_hamilt_general/module_xc/test/xc3_mock.h b/source/module_hamilt_general/module_xc/test/xc3_mock.h
@@ -164,7 +164,7 @@ namespace ModuleBase
 namespace GlobalV
 {
     std::string BASIS_TYPE = "";
-    bool CAL_STRESS = 0;
+    bool CAL_STRESS = false;
     int CAL_FORCE = 0;
     int NSPIN;
     int NPOL;

diff --git a/source/module_hamilt_general/module_xc/xc_functional.h b/source/module_hamilt_general/module_xc/xc_functional.h
@@ -212,7 +212,7 @@ class XC_Functional
                          ModulePW::PW_Basis* rhopw,
                          const UnitCell* ucell,
                          std::vector<double>& stress_gga,
-                         const bool is_stress = 0);
+                         const bool is_stress = false);
 	template <typename T, typename Device,
           typename Real = typename GetTypeReal<T>::type>
 	static void grad_wfc(

diff --git a/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/op_exx_lcao.hpp b/source/module_hamilt_lcao/hamilt_lcaodft/operator_lcao/op_exx_lcao.hpp
@@ -34,7 +34,8 @@ namespace hamilt
                 }
             }
         }
-        if (need_allocate) hR->allocate(nullptr, true);
+        if (need_allocate) { hR->allocate(nullptr, true);
+}
     }
     /// allocate according to BvK cells, used in scf
     template <typename TR>
@@ -64,7 +65,8 @@ namespace hamilt
                 }
             }
         }
-        if (need_allocate) hR->allocate(nullptr, true);
+        if (need_allocate) { hR->allocate(nullptr, true);
+}
     }
 
 template <typename TK, typename TR>
@@ -148,7 +150,8 @@ OperatorEXX<OperatorLCAO<TK, TR>>::OperatorEXX(HS_Matrix_K<TK>* hsk_in,
                         this->restart = GlobalC::restart.load_disk(
                             "Hexx", ik,
                             pv->get_local_size(), this->Hexxd_k_load[ik].data(), false);
-                        if (!this->restart) break;
+                        if (!this->restart) { break;
+}
                     }
                 }
                 else
@@ -160,7 +163,8 @@ OperatorEXX<OperatorLCAO<TK, TR>>::OperatorEXX(HS_Matrix_K<TK>* hsk_in,
                         this->restart = GlobalC::restart.load_disk(
                             "Hexx", ik,
                             pv->get_local_size(), this->Hexxc_k_load[ik].data(), false);
-                        if (!this->restart) break;
+                        if (!this->restart) { break;
+}
                     }
                 }
             }
@@ -176,9 +180,10 @@ OperatorEXX<OperatorLCAO<TK, TR>>::OperatorEXX(HS_Matrix_K<TK>* hsk_in,
                 }
             }
 
-            if (!this->restart)
+            if (!this->restart) {
                 std::cout << "WARNING: Hexx not found, restart from the non-exx loop." << std::endl
                 << "If the loaded charge density is EXX-solved, this may lead to poor convergence." << std::endl;
+}
             GlobalC::restart.info_load.load_H_finish = this->restart;
         }
     }
@@ -189,11 +194,12 @@ void OperatorEXX<OperatorLCAO<TK, TR>>::contributeHR()
 {
     ModuleBase::TITLE("OperatorEXX", "contributeHR");
     // Peize Lin add 2016-12-03
-    if (GlobalV::CALCULATION != "nscf" && this->two_level_step != nullptr && *this->two_level_step == 0 && !this->restart) return;  //in the non-exx loop, do nothing 
+    if (GlobalV::CALCULATION != "nscf" && this->two_level_step != nullptr && *this->two_level_step == 0 && !this->restart) { return;  //in the non-exx loop, do nothing 
+}
     if (XC_Functional::get_func_type() == 4 || XC_Functional::get_func_type() == 5)
     {
         // add H(R) normally
-        if (PARAM.exx_info.info_ri.real_number)
+        if (PARAM.exx_info.info_ri.real_number) {
             RI_2D_Comm::add_HexxR(
                 this->current_spin,
                 PARAM.exx_info.info_global.hybrid_alpha,
@@ -202,7 +208,7 @@ void OperatorEXX<OperatorLCAO<TK, TR>>::contributeHR()
                 GlobalV::NPOL,
                 *this->hR,
                 this->use_cell_nearest ? &this->cell_nearest : nullptr);
-        else
+        } else {
             RI_2D_Comm::add_HexxR(
                 this->current_spin,
                 PARAM.exx_info.info_global.hybrid_alpha,
@@ -211,16 +217,19 @@ void OperatorEXX<OperatorLCAO<TK, TR>>::contributeHR()
                 GlobalV::NPOL,
                 *this->hR,
                 this->use_cell_nearest ? &this->cell_nearest : nullptr);
+}
     }
-    if (GlobalV::NSPIN == 2) this->current_spin = 1 - this->current_spin;
+    if (GlobalV::NSPIN == 2) { this->current_spin = 1 - this->current_spin;
+}
 }
 
 template<typename TK, typename TR>
 void OperatorEXX<OperatorLCAO<TK, TR>>::contributeHk(int ik)
 {
     ModuleBase::TITLE("OperatorEXX", "constributeHR");
     // Peize Lin add 2016-12-03
-    if (GlobalV::CALCULATION != "nscf" && this->two_level_step != nullptr && *this->two_level_step == 0 && !this->restart) return;  //in the non-exx loop, do nothing 
+    if (GlobalV::CALCULATION != "nscf" && this->two_level_step != nullptr && *this->two_level_step == 0 && !this->restart) { return;  //in the non-exx loop, do nothing 
+}
     if (XC_Functional::get_func_type() == 4 || XC_Functional::get_func_type() == 5)
     {
         if (this->restart && this->two_level_step != nullptr)
@@ -246,22 +255,23 @@ void OperatorEXX<OperatorLCAO<TK, TR>>::contributeHk(int ik)
         }
         // cal H(k) from H(R) normally
 
-        if (PARAM.exx_info.info_ri.real_number)
+        if (PARAM.exx_info.info_ri.real_number) {
             RI_2D_Comm::add_Hexx(
                 this->kv,
                 ik,
                 PARAM.exx_info.info_global.hybrid_alpha,
                 *this->Hexxd,
                 *this->hR->get_paraV(),
                 this->hsk->get_hk());
-        else
+        } else {
             RI_2D_Comm::add_Hexx(
                 this->kv,
                 ik,
                 PARAM.exx_info.info_global.hybrid_alpha,
                 *this->Hexxc,
                 *this->hR->get_paraV(),
                 this->hsk->get_hk());
+}
     }
 }
 

diff --git a/source/module_io/test_serial/read_input_item_test.cpp b/source/module_io/test_serial/read_input_item_test.cpp
@@ -1191,7 +1191,7 @@ TEST_F(InputTest, Item_test)
         output = testing::internal::GetCapturedStdout();
         EXPECT_THAT(output, testing::HasSubstr("NOTICE"));
 
-        param.input.exx_separate_loop = 0;
+        param.input.exx_separate_loop = false;
         param.input.exx_hybrid_step = 2;
         it->second.reset_value(it->second, param);
         EXPECT_EQ(param.input.exx_hybrid_step, 1);