move the test code to the right place

maki49 · maki49 · commit 3563d82c466a · 2024-10-16T21:49:30.000+08:00
diff --git a/source/module_io/write_vxc.hpp b/source/module_io/write_vxc.hpp
@@ -284,10 +284,10 @@ void write_Vxc(const int nspin,
             vexxonly_op_ao.contributeHk(ik);
             std::vector<TK> vexx_k_mo = cVc(vexxonly_k_ao.get_hk(), &psi(ik, 0, 0), nbasis, nbands, *pv, p2d);
             e_orb_exx.emplace_back(orbital_energy(ik, nbands, vexx_k_mo, p2d));
+            // ======test=======
+            // exx_energy += all_band_energy(ik, vexx_k_mo, p2d, wg);
+            // ======test=======
         }
-        // ======test=======
-        // exx_energy += all_band_energy(ik, vexx_k_mo, p2d, wg);
-        // ======test=======
 #endif
         if (PARAM.inp.dft_plus_u)
         {

Original file line number	Diff line number	Diff line change
`@@ -284,10 +284,10 @@ void write_Vxc(const int nspin,`
`284`	`284`	`vexxonly_op_ao.contributeHk(ik);`
`285`	`285`	`std::vector<TK> vexx_k_mo = cVc(vexxonly_k_ao.get_hk(), &psi(ik, 0, 0), nbasis, nbands, *pv, p2d);`
`286`	`286`	`e_orb_exx.emplace_back(orbital_energy(ik, nbands, vexx_k_mo, p2d));`
	`287`	`+ // ======test=======`
	`288`	`+ // exx_energy += all_band_energy(ik, vexx_k_mo, p2d, wg);`
	`289`	`+ // ======test=======`
`287`	`290`	`}`
`288`		`- // ======test=======`
`289`		`- // exx_energy += all_band_energy(ik, vexx_k_mo, p2d, wg);`
`290`		`- // ======test=======`
`291`	`291`	`#endif`
`292`	`292`	`if (PARAM.inp.dft_plus_u)`
`293`	`293`	`{`