change unit test

Author: haozhihan

source/module_hsolver/test/diago_david_float_test.cpp

@@ -119,10 +119,12 @@ class DiagoDavPrepare
                         hpsi_info info(&psi_iter_wrapper, bands_range, hpsi_out);
                         phm->ops->hPsi(info);
                     };
-		auto spsi_func = [phm](const std::complex<float>* psi_in, std::complex<float>* spsi_out,const int ld_psi, const int nbands){
-			phm->sPsi(psi_in, spsi_out, ld_psi, ld_psi, nbands);
-		};
-		dav.diag(hpsi_func,spsi_func, ld_psi, phi.get_pointer(), en, eps, maxiter);
+        auto spsi_func = [phm](const std::complex<float>* psi_in,
+                               std::complex<float>* spsi_out,
+                               const int ld_psi,
+                               const int nbands) { phm->sPsi(psi_in, spsi_out, ld_psi, ld_psi, nbands); };
+        std::vector<double> ethr_band(phi.get_nbands(), eps);
+		dav.diag(hpsi_func,spsi_func, ld_psi, phi.get_pointer(), en, ethr_band, maxiter);
 
 #ifdef __MPI		
 		end = MPI_Wtime();

source/module_hsolver/test/diago_david_real_test.cpp

@@ -118,10 +118,11 @@ class DiagoDavPrepare
                         hpsi_info info(&psi_iter_wrapper, bands_range, hpsi_out);
                         phm->ops->hPsi(info);
                     };
-        auto spsi_func = [phm](const double* psi_in, double* spsi_out,const int ld_psi, const int nbands){
+        auto spsi_func = [phm](const double* psi_in, double* spsi_out, const int ld_psi, const int nbands) {
 			phm->sPsi(psi_in, spsi_out, ld_psi, ld_psi, nbands);
-		};
-        dav.diag(hpsi_func,spsi_func, ld_psi, phi.get_pointer(), en, eps, maxiter);
+        };
+        std::vector<double> ethr_band(phi.get_nbands(), eps);
+        dav.diag(hpsi_func,spsi_func, ld_psi, phi.get_pointer(), en, ethr_band, maxiter);
 
 #ifdef __MPI		
         end = MPI_Wtime();

source/module_hsolver/test/diago_david_test.cpp

@@ -121,10 +121,12 @@ class DiagoDavPrepare
                         hpsi_info info(&psi_iter_wrapper, bands_range, hpsi_out);
                         phm->ops->hPsi(info);
                     };
-		auto spsi_func = [phm](const std::complex<double>* psi_in, std::complex<double>* spsi_out,const int ld_psi, const int nbands){
-			phm->sPsi(psi_in, spsi_out, ld_psi, ld_psi, nbands);
-		};
-		dav.diag(hpsi_func,spsi_func, ld_psi, phi.get_pointer(), en, eps, maxiter);
+        auto spsi_func = [phm](const std::complex<double>* psi_in,
+                               std::complex<double>* spsi_out,
+                               const int ld_psi,
+                               const int nbands) { phm->sPsi(psi_in, spsi_out, ld_psi, ld_psi, nbands); };
+        std::vector<double> ethr_band(phi.get_nbands(), eps);
+		dav.diag(hpsi_func,spsi_func, ld_psi, phi.get_pointer(), en, ethr_band, maxiter);
 
 #ifdef __MPI		
 		end = MPI_Wtime();