@@ -551,7 +551,7 @@ def get_nto(self,state_id, save_fch=False, save_cube=False, save_h5=False, resol
551551 del_dm_in_fch (fchname = fchfilename ,itype = 1 )
552552 log .info (f'nto_coeff saved to { fchfilename } ' )
553553 log .info ('Please cite MOKIT: https://gitlab.com/jxzou/mokit' )
554- log .info (' save nto_coeff' , cpu0 )
554+ log .info (' save nto_coeff' , * cpu0 )
555555 if save_h5 :
556556 cpu0 = log .init_timer ()
557557
@@ -562,17 +562,17 @@ def get_nto(self,state_id, save_fch=False, save_cube=False, save_h5=False, resol
562562 f .create_dataset ('dominant_weight' , data = dominant_weight , dtype = 'f4' )
563563 f .create_dataset ('state_id' , data = state_id , dtype = 'i4' )
564564 log .info (f'nto_coeff saved to { h5filename } ' )
565- log .info (' save nto_coeff' , cpu0 )
565+ log .info (' save nto_coeff' , * cpu0 )
566566
567567 if save_cube :
568568 cpu0 = log .init_timer ()
569569 from pyscf .tools import cubegen
570570 '''save nto_coeff to cube file'''
571571 cubegen .orbital (self .mol , f'nto_coeff_{ state_id } _hole.cube' , nto_hole .get (), resolution = resolution )
572- log .info (' save nto_coeff hole' , cpu0 )
572+ log .info (' save nto_coeff hole' , * cpu0 )
573573 cpu0 = log .init_timer ()
574574 cubegen .orbital (self .mol , f'nto_coeff_{ state_id } _electron.cube' , nto_electron .get (), resolution = resolution )
575- log .info (' save nto_coeff electron' , cpu0 )
575+ log .info (' save nto_coeff electron' , * cpu0 )
576576
577577 log .info (f'nto density saved to { f"nto_coeff_{ state_id } _hole.cube" } and { f"nto_coeff_{ state_id } _electron.cube" } ' )
578578
@@ -857,7 +857,6 @@ def get_Tpq(mol, auxmol, lower_inv_eri2c, C_p, C_q,
857857
858858 aux_coeff [aux_sorting ] = tmp
859859 del tmp , aux_sorting
860- # log.timer('aux_coeff', *cpu0)
861860 log .timer ('before batching' , * cpu0 )
862861
863862 cpu00 = log .init_timer ()
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