update nonlocal_fs.cpp

Author: abacus_fixer

source/source_lcao/module_operator_lcao/CMakeLists.txt

@@ -10,6 +10,7 @@ add_library(
     ekinetic.cpp
     nonlocal.cpp
     nonlocal_dh.cpp
+    nonlocal_fs.cpp
     td_ekinetic_lcao.cpp
     td_nonlocal_lcao.cpp
     td_pot_hybrid.cpp

source/source_lcao/module_operator_lcao/nonlocal.cpp

@@ -323,7 +323,7 @@ void hamilt::Nonlocal<hamilt::OperatorLCAO<TK, TR>>::contributeHR()
     return;
 }
 
-#include "nonlocal_force_stress.hpp"
+#include "nonlocal_fs.cpp"
 #include "nonlocal_dh.cpp"
 
 template class hamilt::Nonlocal<hamilt::OperatorLCAO<double, double>>;

…_operator_lcao/nonlocal_force_stress.hpp …cao/module_operator_lcao/nonlocal_fs.cppsource/source_lcao/module_operator_lcao/nonlocal_force_stress.hpp renamed to source/source_lcao/module_operator_lcao/nonlocal_fs.cpp source/source_lcao/module_operator_lcao/nonlocal_force_stress.hpp renamed to source/source_lcao/module_operator_lcao/nonlocal_fs.cpp

@@ -1,4 +1,3 @@
-#pragma once
 #include "nonlocal.h"
 #include "operator_force_stress_utils.h"
 #include "source_base/parallel_reduce.h"
@@ -219,7 +218,7 @@ void Nonlocal<OperatorLCAO<TK, TR>>::cal_force_stress(const bool cal_force,
 }
 
 template <>
-void Nonlocal<OperatorLCAO<std::complex<double>, std::complex<double>>>::cal_force_IJR(const int& iat1,
+inline void Nonlocal<OperatorLCAO<std::complex<double>, std::complex<double>>>::cal_force_IJR(const int& iat1,
                                                const int& iat2,
                                                const int& T0,
                                                const Parallel_Orbitals* paraV,
@@ -284,7 +283,7 @@ void Nonlocal<OperatorLCAO<std::complex<double>, std::complex<double>>>::cal_for
 }
 
 template <>
-void Nonlocal<OperatorLCAO<std::complex<double>, std::complex<double>>>::cal_stress_IJR(const int& iat1,
+inline void Nonlocal<OperatorLCAO<std::complex<double>, std::complex<double>>>::cal_stress_IJR(const int& iat1,
                                                 const int& iat2,
                                                 const int& T0,
                                                 const Parallel_Orbitals* paraV,