clang-format change.

Author: ErjieWu

source/source_lcao/module_deepks/test/LCAO_deepks_test.cpp

@@ -162,10 +162,7 @@ void test_deepks<T>::check_pdm()
 template <typename T>
 void test_deepks<T>::check_descriptor(std::vector<torch::Tensor>& descriptor)
 {
-    DeePKS_domain::cal_descriptor(ucell.nat,
-                                  this->ld.deepks_param,
-                                  this->ld.pdm,
-                                  descriptor);
+    DeePKS_domain::cal_descriptor(ucell.nat, this->ld.deepks_param, this->ld.pdm, descriptor);
     DeePKS_domain::check_descriptor(this->ld.deepks_param, ucell, "./", descriptor, 0);
     this->compare_with_ref("deepks_desc.dat", "descriptor_ref.dat");
 }
@@ -221,12 +218,7 @@ void test_deepks<T>::check_gvepsl(torch::Tensor& gdmepsl)
     std::vector<torch::Tensor> gevdm;
     DeePKS_domain::cal_gevdm(ucell.nat, this->ld.deepks_param, this->ld.pdm, gevdm);
     torch::Tensor gvepsl;
-    DeePKS_domain::cal_gvepsl(ucell.nat,
-                              this->ld.deepks_param,
-                              gevdm,
-                              gdmepsl,
-                              gvepsl,
-                              0);
+    DeePKS_domain::cal_gvepsl(ucell.nat, this->ld.deepks_param, gevdm, gdmepsl, gvepsl, 0);
     DeePKS_domain::check_tensor<double>(gvepsl, "gvepsl.dat", 0); // 0 for rank
     this->compare_with_ref("gvepsl.dat", "gvepsl_ref.dat");
 }

source/source_lcao/module_deepks/test/klist.h

@@ -1,72 +1,69 @@
-///klist : adapted from klist from source_pw/module_pwdft
-///deals with k point sampling
+/// klist : adapted from klist from source_pw/module_pwdft
+/// deals with k point sampling
 
-#include "source_base/vector3.h"
+#include "source_base/global_function.h"
 #include "source_base/matrix3.h"
 #include "source_base/memory.h"
-#include "source_base/global_function.h"
-#include <iostream>
+#include "source_base/vector3.h"
+
 #include <fstream>
+#include <iostream>
 
 namespace Test_Deepks
 {
 class K_Vectors
 {
-public:
-
-    ModuleBase::Vector3<double> *kvec_c;		// Cartesian coordinates of k points
-    std::vector<ModuleBase::Vector3<double>> kvec_d;		// Direct coordinates of k points
+  public:
+    ModuleBase::Vector3<double>* kvec_c;             // Cartesian coordinates of k points
+    std::vector<ModuleBase::Vector3<double>> kvec_d; // Direct coordinates of k points
 
-    double *wk;						// wk, weight of k points
+    double* wk; // wk, weight of k points
 
-    int *isk;						// distinguish spin up and down k points
+    int* isk; // distinguish spin up and down k points
 
-    int nkstot;						// total number of k points
+    int nkstot; // total number of k points
 
-    int nmp[3];						// Number of Monhorst-Pack
+    int nmp[3]; // Number of Monhorst-Pack
 
     K_Vectors();
     ~K_Vectors();
 
-    void set(
-        const std::string &k_file_name,
-        const int& nspin,
-        const ModuleBase::Matrix3 &reciprocal_vec,
-        const ModuleBase::Matrix3 &latvec,
-		bool &GAMMA_ONLY_LOCAL,
-		std::ofstream &ofs_running,
-		std::ofstream &ofs_warning);
+    void set(const std::string& k_file_name,
+             const int& nspin,
+             const ModuleBase::Matrix3& reciprocal_vec,
+             const ModuleBase::Matrix3& latvec,
+             bool& GAMMA_ONLY_LOCAL,
+             std::ofstream& ofs_running,
+             std::ofstream& ofs_warning);
 
-private:
+  private:
     int nspin;
     bool kc_done;
     bool kd_done;
-    double koffset[3];     			// used only in automatic k-points.
-    std::string k_kword; //LiuXh add 20180619
-    int k_nkstot; //LiuXh add 20180619
+    double koffset[3];   // used only in automatic k-points.
+    std::string k_kword; // LiuXh add 20180619
+    int k_nkstot;        // LiuXh add 20180619
 
     // step 1 : generate kpoints
-    bool read_kpoints(
-		const std::string &fn,
-		bool &GAMMA_ONLY_LOCAL,
-		std::ofstream &ofs_warning,
-		std::ofstream &ofs_running);
-    void Monkhorst_Pack(const int *nmp_in,const double *koffset_in,const int tipo);
-    double Monkhorst_Pack_formula( const int &k_type, const double &offset,
-                                   const int& n, const int &dim);
+    bool read_kpoints(const std::string& fn,
+                      bool& GAMMA_ONLY_LOCAL,
+                      std::ofstream& ofs_warning,
+                      std::ofstream& ofs_running);
+    void Monkhorst_Pack(const int* nmp_in, const double* koffset_in, const int tipo);
+    double Monkhorst_Pack_formula(const int& k_type, const double& offset, const int& n, const int& dim);
 
     // step 2 : set both kvec and kved; normalize weight
-    void set_both_kvec(const ModuleBase::Matrix3 &G,const ModuleBase::Matrix3 &Rm, std::ofstream &ofs_running);
-	void renew(const int &kpoint_number);
-    void normalize_wk( const int &degspin );
+    void set_both_kvec(const ModuleBase::Matrix3& G, const ModuleBase::Matrix3& Rm, std::ofstream& ofs_running);
+    void renew(const int& kpoint_number);
+    void normalize_wk(const int& degspin);
 
     // step 3 : *2 or *4 kpoints.
     // *2 for LSDA
     // *4 for non-collinear
-    void set_kup_and_kdw(std::ofstream &ofs_running);
+    void set_kup_and_kdw(std::ofstream& ofs_running);
 
     // step 4
     // print k lists.
-    void print_klists(std::ofstream &fn_running);
+    void print_klists(std::ofstream& fn_running);
 };
-}
+} // namespace Test_Deepks