@@ -43,37 +43,37 @@ void write_psi_r_1(const psi::Psi<std::complex<double>>& wfc_g,
4343 {
4444 const std::vector<std::complex <double >> wfc_r = cal_wfc_r (wfcpw, wfc_g, ik, ib);
4545
46- std::vector<double > wfc_r2 (wfc_r.size ());
47- std::vector<double > wfc_i2 ;
46+ std::vector<double > wfc_real (wfc_r.size ());
47+ std::vector<double > wfc_imag ;
4848 if (square)
4949 {
50- for (int ir = 0 ; ir < wfc_r2 .size (); ++ir)
50+ for (int ir = 0 ; ir < wfc_real .size (); ++ir)
5151 {
52- wfc_r2 [ir] = std::norm (wfc_r[ir]); // "std::norm(z)" returns |z|^2
52+ wfc_real [ir] = std::norm (wfc_r[ir]); // "std::norm(z)" returns |z|^2
5353 }
5454 }
5555 else
5656 {
57- wfc_i2 .resize (wfc_r.size ());
58- for (int ir = 0 ; ir < wfc_r2 .size (); ++ir)
57+ wfc_imag .resize (wfc_r.size ());
58+ for (int ir = 0 ; ir < wfc_real .size (); ++ir)
5959 {
60- wfc_r2 [ir] = wfc_r[ir].real ();
61- wfc_i2 [ir] = wfc_r[ir].imag ();
60+ wfc_real [ir] = wfc_r[ir].real ();
61+ wfc_imag [ir] = wfc_r[ir].imag ();
6262 }
6363 }
6464 const std::string file_name = outdir + " wfc_realspace_" + ModuleBase::GlobalFunc::TO_STRING (ik_out) + " _"
6565 + ModuleBase::GlobalFunc::TO_STRING (ib);
6666#ifdef __MPI
6767 mpi_requests.push_back ({});
68- write_chg_r_1 (wfcpw, wfc_r2 , file_name, mpi_requests.back ());
68+ write_chg_r_1 (wfcpw, wfc_real , file_name, mpi_requests.back ());
6969 if (!square)
7070 {
71- write_chg_r_1 (wfcpw, wfc_i2 , file_name + " _imag" , mpi_requests.back ());
71+ write_chg_r_1 (wfcpw, wfc_imag , file_name + " _imag" , mpi_requests.back ());
7272 }
7373#else
74- write_chg_r_1 (wfcpw, wfc_r2 , file_name);
74+ write_chg_r_1 (wfcpw, wfc_real , file_name);
7575 // if (!square)
76- // write_chg_r_1(wfc_i2 , file_name + "_imag", mpi_requests.back());
76+ // write_chg_r_1(wfc_imag , file_name + "_imag", mpi_requests.back());
7777#endif
7878 }
7979 }
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