type 1 fix with std::complex (#6346)

Author: Kai Luo (罗凯)

source/module_lr/esolver_lrtd_lcao.cpp

@@ -36,12 +36,12 @@ void LR::ESolver_LR<std::complex<double>>::move_exx_lri(std::shared_ptr<Exx_LRI<
 template<>
 void LR::ESolver_LR<std::complex<double>>::move_exx_lri(std::shared_ptr<Exx_LRI<double>>& exx_ks)
 {
-    throw std::runtime_error("ESolver_LR<std::complex<double>>::move_exx_lri: cannot move double to complex<double>");
+    throw std::runtime_error("ESolver_LR<std::complex<double>>::move_exx_lri: cannot move double to std::complex<double>");
 }
 template<>
 void LR::ESolver_LR<double>::move_exx_lri(std::shared_ptr<Exx_LRI<std::complex<double>>>& exx_ks)
 {
-    throw std::runtime_error("ESolver_LR<double>::move_exx_lri: cannot move complex<double> to double");
+    throw std::runtime_error("ESolver_LR<double>::move_exx_lri: cannot move std::complex<double> to double");
 }
 #endif
 template<>void LR::ESolver_LR<double>::set_gint() { this->gint_ = &this->gint_g_;this->gint_g_.gridt = &this->gt_; }

source/module_lr/utils/lr_util.cpp

@@ -132,7 +132,7 @@ namespace LR_Util
 
     void diag_lapack(const int& n, std::complex<double>* mat, double* eig)
     {
-        ModuleBase::TITLE("LR_Util", "diag_lapack<complex<double>>");
+        ModuleBase::TITLE("LR_Util", "diag_lapack <std::complex<double>>");
         int lwork = 2 * n;
         std::complex<double>* work2 = new std::complex<double>[lwork];
         double* rwork = new double[3 * n - 2];
@@ -167,7 +167,7 @@ namespace LR_Util
 
     void diag_lapack_nh(const int& n, std::complex<double>* mat, std::complex<double>* eig)
     {
-        ModuleBase::TITLE("LR_Util", "diag_lapack_nh<complex<double>>");
+        ModuleBase::TITLE("LR_Util", "diag_lapack_nh <std::complex<double>>");
         int lwork = 2 * n;
         std::vector<std::complex<double>> work2(lwork);
         std::vector<double> rwork(3 * n - 2);

source/source_base/complexmatrix.h

@@ -54,7 +54,7 @@ class ComplexMatrix
 	//==================
 	// member function:
 	//==================
-	//set all elements to be complex<double> {0.0,0.0}
+	//set all elements to be std::complex<double> {0.0,0.0}
 	void zero_out(void);
 	//set to be a unit matrix,
 	void set_as_identity_matrix(void);

source/source_base/parallel_reduce.h

@@ -8,7 +8,7 @@
 #include <cassert>
 #include <complex>
 
-using std::complex;
+// using std::complex;
 
 namespace Parallel_Reduce
 {

source/source_basis/module_pw/pw_basis.h

@@ -243,7 +243,7 @@ class PW_Basis
                         // done first; false: y-fft For gamma_only, true: we use half x; false: we use half y
     int ng_xeq0 = 0; //only used when xprime = true, number of g whose gx = 0
     int nmaxgr = 0;  // Gamma_only: max between npw and (nrxx+1)/2, others: max between npw and nrxx
-                     // Thus complex<double>[nmaxgr] is able to contain either reciprocal or real data
+                     // Thus std::complex<double>[nmaxgr] is able to contain either reciprocal or real data
     // FFT ft;
     FFT_Bundle fft_bundle;
     //The position of pointer in and out can be equal(in-place transform) or different(out-of-place transform).

source/source_basis/module_pw/pw_transform.cpp

@@ -18,8 +18,8 @@ namespace ModulePW
  * @brief transform real space to reciprocal space
  * @details c(g)=\int dr*f(r)*exp(-ig*r)
  *          Here we calculate c(g)
- * @param in: (nplane,ny,nx), complex<double> data
- * @param out: (nz, ns),  complex<double> data
+ * @param in: (nplane,ny,nx), std::complex<double> data
+ * @param out: (nz, ns),  std::complex<double> data
  */
 template <typename FPTYPE>
 void PW_Basis::real2recip(const std::complex<FPTYPE>* in,
@@ -73,7 +73,7 @@ void PW_Basis::real2recip(const std::complex<FPTYPE>* in,
  * @details c(g)=\int dr*f(r)*exp(-ig*r)
  *          Here we calculate c(g)
  * @param in: (nplane,ny,nx), double data
- * @param out: (nz, ns),  complex<double> data
+ * @param out: (nz, ns),  std::complex<double> data
  */
 template <typename FPTYPE>
 void PW_Basis::real2recip(const FPTYPE* in, std::complex<FPTYPE>* out, const bool add, const FPTYPE factor) const
@@ -139,8 +139,8 @@ void PW_Basis::real2recip(const FPTYPE* in, std::complex<FPTYPE>* out, const boo
  * @brief transform reciprocal space to real space
  * @details f(r)=1/V * \sum_{g} c(g)*exp(ig*r)
  *          Here we calculate f(r)
- * @param in: (nz,ns), complex<double>
- * @param out: (nplane, ny, nx), complex<double>
+ * @param in: (nz,ns), std::complex<double>
+ * @param out: (nplane, ny, nx), std::complex<double>
  */
 template <typename FPTYPE>
 void PW_Basis::recip2real(const std::complex<FPTYPE>* in,
@@ -198,7 +198,7 @@ void PW_Basis::recip2real(const std::complex<FPTYPE>* in,
  * @brief transform reciprocal space to real space
  * @details f(r)=1/V * \sum_{g} c(g)*exp(ig*r)
  *          Here we calculate f(r)
- * @param in: (nz,ns), complex<double>
+ * @param in: (nz,ns), std::complex<double>
  * @param out: (nplane, ny, nx), double
  */
 template <typename FPTYPE>

source/source_basis/module_pw/pw_transform_k.cpp

@@ -19,8 +19,8 @@ namespace ModulePW
  *          c(k,g)=\int dr*f'(k,r)*exp(-ig*r)
  *
  *          This function tranform f'(r) to c(k,g).
- * @param in: (nplane,ny,nx), complex<double> data
- * @param out: (nz, ns),  complex<double> data
+ * @param in: (nplane,ny,nx), std::complex<double> data
+ * @param out: (nz, ns),  std::complex<double> data
  */
 template <typename FPTYPE>
 void PW_Basis_K::real2recip(const std::complex<FPTYPE>* in,
@@ -85,7 +85,7 @@ void PW_Basis_K::real2recip(const std::complex<FPTYPE>* in,
  *
  *          This function tranform f'(r) to c(k,g).
  * @param in: (nplane,ny,nx), double data
- * @param out: (nz, ns),  complex<double> data
+ * @param out: (nz, ns),  std::complex<double> data
  */
 template <typename FPTYPE>
 void PW_Basis_K::real2recip(const FPTYPE* in,
@@ -158,8 +158,8 @@ void PW_Basis_K::real2recip(const FPTYPE* in,
  *          c(k,g)=\int dr*f'(k,r)*exp(-ig*r)
  *
  *          This function tranform c(k,g) to f'(r).
- * @param in: (nz,ns), complex<double>
- * @param out: (nplane, ny, nx), complex<double>
+ * @param in: (nz,ns), std::complex<double>
+ * @param out: (nplane, ny, nx), std::complex<double>
  */
 template <typename FPTYPE>
 void PW_Basis_K::recip2real(const std::complex<FPTYPE>* in,
@@ -221,7 +221,7 @@ void PW_Basis_K::recip2real(const std::complex<FPTYPE>* in,
  *          c(k,g)=\int dr*f'(k,r)*exp(-ig*r)
  *
  *          This function tranform c(k,g) to f'(r).
- * @param in: (nz,ns), complex<double>
+ * @param in: (nz,ns), std::complex<double>
  * @param out: (nplane, ny, nx), double
  */
 template <typename FPTYPE>

source/source_basis/module_pw/pw_transform_k_dsp.cpp

@@ -40,7 +40,7 @@ void PW_Basis_K::real2recip_dsp(const std::complex<double>* in,
 
     const int startig = ik * this->npwk_max;
     const int npw_k = this->npwk[ik];
-    // copy the in into the auxr with complex<double>
+    // copy the in into the auxr with std::complex<double>
     memcpy(auxr, in, this->nrxx * 2 * 8);
 
     // 3d fft

source/source_basis/module_pw/test/test-other.cpp

@@ -47,8 +47,8 @@ TEST_F(PWTEST,test_other)
     pwktest.setuptransform();
     pwktest.collect_local_pw();
     const int nrxx = pwktest.nrxx;
-    complex<double> * rhor1 = new complex<double> [nrxx];
-    complex<double> * rhor2 = new complex<double> [nrxx];
+    std::complex<double> * rhor1 = new std::complex<double> [nrxx];
+    std::complex<double> * rhor2 = new std::complex<double> [nrxx];
 #ifdef __ENABLE_FLOAT_FFTW
     complex<float> * rhofr1 = new complex<float> [nrxx];
     complex<float> * rhofr2 = new complex<float> [nrxx];
@@ -57,8 +57,8 @@ TEST_F(PWTEST,test_other)
     for(int ik = 0; ik < nks; ++ik)
     {
         const int npwk = pwktest.npwk[ik];
-        complex<double> * rhog1 = new complex<double> [npwk];
-        complex<double> * rhog2 = new complex<double> [npwk];
+        std::complex<double> * rhog1 = new std::complex<double> [npwk];
+        std::complex<double> * rhog2 = new std::complex<double> [npwk];
 #ifdef __ENABLE_FLOAT_FFTW
         complex<float> * rhofg1 = new complex<float> [npwk];
         complex<float> * rhofg2 = new complex<float> [npwk];

source/source_basis/module_pw/test/test1-2-2.cpp

@@ -54,7 +54,7 @@ TEST_F(PWTEST,test1_2_2)
     GT = latvec.Inverse();
 	G  = GT.Transpose();
 	GGT = G * GT;
-    complex<double> *tmp = new complex<double> [nx*ny*nz];
+    std::complex<double> *tmp = new std::complex<double> [nx*ny*nz];
     if(rank_in_pool == 0)
     {
         for(int ix = 0 ; ix < nx ; ++ix)
@@ -91,7 +91,7 @@ TEST_F(PWTEST,test1_2_2)
                 int iy = ixy % ny;
                 ModuleBase::Vector3<double> real_r(ix, iy, iz);
                 double phase_im = -delta_g * real_r;
-                complex<double> phase(0,ModuleBase::TWO_PI * phase_im);
+                std::complex<double> phase(0,ModuleBase::TWO_PI * phase_im);
                 tmp[ixy * nz + iz] *= exp(phase);
             }
         }
@@ -100,9 +100,9 @@ TEST_F(PWTEST,test1_2_2)
     MPI_Bcast(tmp,2*nx*ny*nz,MPI_DOUBLE,0,POOL_WORLD);
 #endif
 
-    complex<double> * rhog = new complex<double> [npw];
-    complex<double> * rhogr = new complex<double> [nmaxgr];
-    complex<double> * rhogout = new complex<double> [npw];
+    std::complex<double> * rhog = new std::complex<double> [npw];
+    std::complex<double> * rhogr = new std::complex<double> [nmaxgr];
+    std::complex<double> * rhogout = new std::complex<double> [npw];
     for(int ig = 0 ; ig < npw ; ++ig)
     {
         rhog[ig] = 1.0/(pwtest.gg[ig]+1);