Initialize double aa, bb in bandenergy.cpp

AsTonyshment · AsTonyshment · commit a6040eca2fa1 · 2024-12-27T10:44:40.000+08:00
diff --git a/source/module_hamilt_lcao/module_tddft/bandenergy.cpp b/source/module_hamilt_lcao/module_tddft/bandenergy.cpp
@@ -83,7 +83,7 @@ void compute_ekb(const Parallel_Orbitals* pv,
         {
             for (int j = 0; j < pv->ncol_bands; j++)
             {
-                double aa, bb;
+                double aa = 0.0, bb = 0.0;
                 aa = Eij[i * pv->ncol + j].real();
                 bb = Eij[i * pv->ncol + j].imag();
                 if (std::abs(aa) < Evolve_elec::td_print_eij)
@@ -211,7 +211,7 @@ void compute_ekb_tensor(const Parallel_Orbitals* pv,
         {
             for (int j = 0; j < pv->ncol_bands; j++)
             {
-                double aa, bb;
+                double aa = 0.0, bb = 0.0;
                 aa = Eij.data<std::complex<double>>()[i * pv->ncol + j].real();
                 bb = Eij.data<std::complex<double>>()[i * pv->ncol + j].imag();
                 if (std::abs(aa) < Evolve_elec::td_print_eij)

Original file line number	Diff line number	Diff line change
`@@ -83,7 +83,7 @@ void compute_ekb(const Parallel_Orbitals* pv,`
`83`	`83`	`{`
`84`	`84`	`for (int j = 0; j < pv->ncol_bands; j++)`
`85`	`85`	`{`
`86`		`- double aa, bb;`
	`86`	`+ double aa = 0.0, bb = 0.0;`
`87`	`87`	`aa = Eij[i * pv->ncol + j].real();`
`88`	`88`	`bb = Eij[i * pv->ncol + j].imag();`
`89`	`89`	`if (std::abs(aa) < Evolve_elec::td_print_eij)`
`@@ -211,7 +211,7 @@ void compute_ekb_tensor(const Parallel_Orbitals* pv,`
`211`	`211`	`{`
`212`	`212`	`for (int j = 0; j < pv->ncol_bands; j++)`
`213`	`213`	`{`
`214`		`- double aa, bb;`
	`214`	`+ double aa = 0.0, bb = 0.0;`
`215`	`215`	`aa = Eij.data<std::complex<double>>()[i * pv->ncol + j].real();`
`216`	`216`	`bb = Eij.data<std::complex<double>>()[i * pv->ncol + j].imag();`
`217`	`217`	`if (std::abs(aa) < Evolve_elec::td_print_eij)`