fix FORCE_STRESS

Author: mohanchen

source/source_lcao/FORCE_STRESS.cpp

@@ -852,3 +852,29 @@ void Force_Stress_LCAO<T>::forceSymmetry(const UnitCell& ucell, ModuleBase::matr
 
 template class Force_Stress_LCAO<double>;
 template class Force_Stress_LCAO<std::complex<double>>;
+
+template <>
+void assign_dmk_ptr<double>(
+    elecstate::DensityMatrix<double,double>* dm,
+    std::vector<std::vector<double>>*& dmk_d,
+    std::vector<std::vector<std::complex<double>>>*& dmk_c,
+    bool gamma_only_local
+) {
+    auto& dmk_tmp = dm->get_DMK_vector();
+    dmk_d = &dmk_tmp;
+    dmk_c = nullptr;
+}
+
+template <>
+void assign_dmk_ptr<std::complex<double>>(
+    elecstate::DensityMatrix<std::complex<double>,double>* dm,
+    std::vector<std::vector<double>>*& dmk_d,
+    std::vector<std::vector<std::complex<double>>>*& dmk_c,
+    bool gamma_only_local
+) {
+    auto& dmk_tmp = dm->get_DMK_vector();
+    dmk_c = &dmk_tmp;
+    dmk_d = nullptr;
+}
+
+

source/source_lcao/FORCE_STRESS.h

@@ -127,28 +127,4 @@ void assign_dmk_ptr(
     bool gamma_only_local
 );
 
-template <>
-void assign_dmk_ptr<double>(
-    elecstate::DensityMatrix<double,double>* dm,
-    std::vector<std::vector<double>>*& dmk_d,
-    std::vector<std::vector<std::complex<double>>>*& dmk_c,
-    bool gamma_only_local
-) {
-    auto& dmk_tmp = dm->get_DMK_vector();
-    dmk_d = &dmk_tmp;
-    dmk_c = nullptr;
-}
-
-template <>
-void assign_dmk_ptr<std::complex<double>>(
-    elecstate::DensityMatrix<std::complex<double>,double>* dm,
-    std::vector<std::vector<double>>*& dmk_d,
-    std::vector<std::vector<std::complex<double>>>*& dmk_c,
-    bool gamma_only_local
-) {
-    auto& dmk_tmp = dm->get_DMK_vector();
-    dmk_c = &dmk_tmp;
-    dmk_d = nullptr;
-}
-
 #endif