clang-format change.

Author: ErjieWu

source/module_esolver/lcao_before_scf.cpp

@@ -227,7 +227,13 @@ void ESolver_KS_LCAO<TK, TR>::before_scf(UnitCell& ucell, const int istep)
 
         if (PARAM.inp.deepks_out_unittest)
         {
-            DeePKS_domain::check_phialpha(PARAM.inp.cal_force, ucell, orb_, this->gd, pv, this->ld.phialpha, GlobalV::MY_RANK);
+            DeePKS_domain::check_phialpha(PARAM.inp.cal_force,
+                                          ucell,
+                                          orb_,
+                                          this->gd,
+                                          pv,
+                                          this->ld.phialpha,
+                                          GlobalV::MY_RANK);
         }
     }
 #endif

source/module_esolver/lcao_others.cpp

@@ -233,7 +233,13 @@ void ESolver_KS_LCAO<TK, TR>::others(UnitCell& ucell, const int istep)
 
         if (PARAM.inp.deepks_out_unittest)
         {
-            DeePKS_domain::check_phialpha(PARAM.inp.cal_force, ucell, orb_, this->gd, pv, this->ld.phialpha, GlobalV::MY_RANK);
+            DeePKS_domain::check_phialpha(PARAM.inp.cal_force,
+                                          ucell,
+                                          orb_,
+                                          this->gd,
+                                          pv,
+                                          this->ld.phialpha,
+                                          GlobalV::MY_RANK);
         }
     }
 #endif

source/module_hamilt_lcao/module_deepks/deepks_basic.cpp

@@ -4,6 +4,8 @@
 
 #ifdef __DEEPKS
 #include "deepks_basic.h"
+
+#include "module_base/timer.h"
 #include "module_parameter/parameter.h"
 
 // d(Descriptor) / d(projected density matrix)
@@ -126,14 +128,14 @@ inline void generate_py_files(const int lmaxd, const int nmaxd, const std::strin
 }
 
 void DeePKS_domain::cal_edelta_gedm_equiv(const int nat,
-                                   const int lmaxd,
-                                   const int nmaxd,
-                                   const int inlmax,
-                                   const int des_per_atom,
-                                   const int* inl_l,
-                                   const std::vector<torch::Tensor>& descriptor,
-                                   double** gedm,
-                                   double& E_delta)
+                                          const int lmaxd,
+                                          const int nmaxd,
+                                          const int inlmax,
+                                          const int des_per_atom,
+                                          const int* inl_l,
+                                          const std::vector<torch::Tensor>& descriptor,
+                                          double** gedm,
+                                          double& E_delta)
 {
     ModuleBase::TITLE("DeePKS_domain", "cal_edelta_gedm_equiv");
     ModuleBase::timer::tick("DeePKS_domain", "cal_edelta_gedm_equiv");
@@ -170,16 +172,16 @@ void DeePKS_domain::cal_edelta_gedm_equiv(const int nat,
 // obtain from the machine learning model dE_delta/dDescriptor
 // E_delta is also calculated here
 void DeePKS_domain::cal_edelta_gedm(const int nat,
-                             const int lmaxd,
-                             const int nmaxd,
-                             const int inlmax,
-                             const int des_per_atom,
-                             const int* inl_l,
-                             const std::vector<torch::Tensor>& descriptor,
-                             const std::vector<torch::Tensor>& pdm,
-                             torch::jit::script::Module& model_deepks,
-                             double** gedm,
-                             double& E_delta)
+                                    const int lmaxd,
+                                    const int nmaxd,
+                                    const int inlmax,
+                                    const int des_per_atom,
+                                    const int* inl_l,
+                                    const std::vector<torch::Tensor>& descriptor,
+                                    const std::vector<torch::Tensor>& pdm,
+                                    torch::jit::script::Module& model_deepks,
+                                    double** gedm,
+                                    double& E_delta)
 {
     if (PARAM.inp.deepks_equiv)
     {

source/module_hamilt_lcao/module_deepks/deepks_phialpha.cpp

@@ -72,7 +72,8 @@ void DeePKS_domain::allocate_phialpha(const bool& cal_deri,
                     atom_begin_row[i] = -1;
                     atom_begin_col[i] = pv->atom_begin_col[i];
                 }
-                hamilt::AtomPair<double> pair(iat, ibt, R_index.x, R_index.y, R_index.z, atom_begin_row, atom_begin_col, ucell.nat);
+                hamilt::AtomPair<double>
+                    pair(iat, ibt, R_index.x, R_index.y, R_index.z, atom_begin_row, atom_begin_col, ucell.nat);
                 // Notice: in AtomPair, the usage is set_size(ncol, nrow)
                 pair.set_size(nw_alpha, atom1->nw * PARAM.globalv.npol);
                 phialpha[0]->insert_pair(pair);