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move the test code to the right place
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maki49 committed Oct 16, 2024
1 parent f6e057c commit 3563d82
Showing 1 changed file with 3 additions and 3 deletions.
6 changes: 3 additions & 3 deletions source/module_io/write_vxc.hpp
Original file line number Diff line number Diff line change
Expand Up @@ -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)
{
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