Fix: UT for ElecStatePW

Author: dyzheng

source/module_elecstate/test/updaterhok_pw_test.cpp

@@ -52,7 +52,7 @@ class MockElecStatePW : public ElecStatePW
 /******************************
  * read wavefunction
  ******************************/
-void read_wfc2(const std::string& fn, ModuleBase::ComplexMatrix* psi, ModuleBase::Vector3<double>* gkk)
+void read_wfc2(const std::string& fn, psi::Psi<std::complex<double>> &psi, ModuleBase::Vector3<double>* gkk)
 {
     std::string* wfilename;
     wfilename = new std::string[GlobalC::kv.nkstot];
@@ -94,7 +94,7 @@ void read_wfc2(const std::string& fn, ModuleBase::ComplexMatrix* psi, ModuleBase
                     double realpart;
                     double imagpart;
                     ifs >> realpart >> imagpart;
-                    psi[ik](ib, ig) = std::complex<double>(realpart, imagpart);
+                    psi(ik, ib, ig) = std::complex<double>(realpart, imagpart);
                 }
                 getline(ifs, tmpstring);
                 getline(ifs, tmpstring);
@@ -307,7 +307,7 @@ TEST_F(EState,RhoPW)
     std::stringstream ssw;
     ssw <<GlobalV::global_out_dir<< "WAVEFUNC";
     // we need to supply out_wfc_pw here
-    read_wfc2(ssw.str(), GlobalC::wf.evc, GlobalC::pw.gcar);
+    read_wfc2(ssw.str(), GlobalC::wf.psi[0], GlobalC::pw.gcar);
 
     // copy data from old wf.evc to new evc(an object of Psi)
     evc.resize(GlobalC::kv.nks,GlobalV::NBANDS,GlobalC::wf.npwx);
@@ -316,7 +316,7 @@ TEST_F(EState,RhoPW)
     {
 	    for(int j=0;j<GlobalC::wf.npwx;j++)
             {
-		    evc(i,j)=GlobalC::wf.evc[0](i,j);
+		    evc(i,j)=GlobalC::wf.psi[0](i,j);
 	    }
     }
     // using class ElecStatePW to calculate rho

source/module_elecstate/test/updaterhok_pw_test.h

@@ -136,12 +136,11 @@ void wavefunc::allocate(const int nks)
 {
 	this->npwx = GlobalC::pw.setupIndGk(this->igk, GlobalC::kv.ngk);
 	this->wg.create(nks,GlobalV::NBANDS);
-	this->evc=new ModuleBase::ComplexMatrix[nks];
 	this->ekb = new double*[nks];
+	this->psi = new psi::Psi<std::complex<double>>(nks, GlobalV::NBANDS,npwx, nullptr);
 	for (int ik=0;ik<nks;ik++)
 	{
 		this->ekb[ik] = new double[GlobalV::NBANDS];
-		this->evc[ik].create(GlobalV::NBANDS,npwx);
 	}
 	return;
 }