Skip to content

Commit c7c8976

Browse files
committed
fix bug
1 parent c2c5951 commit c7c8976

File tree

1 file changed

+3
-2
lines changed

1 file changed

+3
-2
lines changed

source/source_esolver/esolver_ks_lcao.cpp

Lines changed: 3 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -350,9 +350,9 @@ void ESolver_KS_LCAO<TK, TR>::iter_init(UnitCell& ucell, const int istep, const
350350
= GlobalC::exx_info.info_ri.real_number ? this->exx_nao.exd->two_level_step : this->exx_nao.exc->two_level_step;
351351
}
352352
#endif
353-
// elecstate::setup_dm<TK>(ucell, estate, this->psi, this->chr, iter, exx_two_level_step);
354-
353+
elecstate::setup_dm<TK>(ucell, estate, this->psi, this->chr, iter, exx_two_level_step);
355354

355+
/*
356356
if (iter == 1 && exx_two_level_step == 0)
357357
{
358358
std::cout << " WAVEFUN -> CHARGE " << std::endl;
@@ -385,6 +385,7 @@ void ESolver_KS_LCAO<TK, TR>::iter_init(UnitCell& ucell, const int istep, const
385385
estate->f_en.descf = estate->cal_delta_escf();
386386
}
387387
388+
*/
388389

389390

390391
}

0 commit comments

Comments
 (0)