Remove check_o_delta().

Author: ErjieWu

source/module_hamilt_lcao/module_deepks/deepks_orbital.cpp

@@ -56,16 +56,6 @@ void DeePKS_domain::cal_o_delta(const std::vector<TH>& dm_hl,
     return;
 }
 
-void DeePKS_domain::check_o_delta(ModuleBase::matrix& o_delta)
-{
-    std::ofstream ofs("o_delta.dat");
-    ofs << std::setprecision(10);
-    for (int ik = 0; ik < o_delta.nr; ik++)
-    {
-        ofs << o_delta(ik, 0) << std::endl;
-    }
-}
-
 template void DeePKS_domain::cal_o_delta<double, ModuleBase::matrix>(const std::vector<ModuleBase::matrix>& dm_hl,
                                                                      const std::vector<std::vector<double>>& h_delta,
                                                                      //  std::vector<double>& o_delta,

source/module_hamilt_lcao/module_deepks/deepks_orbital.h

@@ -20,7 +20,7 @@ namespace DeePKS_domain
 // which is defind as sum_mu,nu rho^{hl}_mu,nu <chi_mu|alpha>V(D)<alpha|chi_nu>
 // where rho^{hl}_mu,nu = C_{L\mu}C_{L\nu} - C_{H\mu}C_{H\nu}, L for LUMO, H for HOMO
 
-// There are 1 subroutines in this file:
+// There are 1 subroutine in this file:
 // 1. cal_o_delta, which is used for O_delta calculation
 
 template <typename TK, typename TH>
@@ -31,8 +31,6 @@ void cal_o_delta(const std::vector<TH>& dm_hl,
                  const Parallel_Orbitals& pv,
                  const int nks,
                  const int nspin);
-
-void check_o_delta(ModuleBase::matrix& o_delta);
 } // namespace DeePKS_domain
 
 #endif

source/module_hamilt_lcao/module_deepks/test/LCAO_deepks_test.cpp

@@ -415,7 +415,10 @@ void test_deepks<T>::check_o_delta()
                                   ParaO,
                                   nks,
                                   nspin);
-    DeePKS_domain::check_o_delta(o_delta);
+    std::ofstream ofs("o_delta.dat");
+    ofs << std::setprecision(10);
+    o_delta.print(ofs);
+    ofs.close();
     this->compare_with_ref("o_delta.dat", "o_delta_ref.dat");
 }