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Anthony Scemama 2016-09-22 12:45:27 +02:00
parent a305140125
commit 2d8b3f75f3
1 changed files with 1 additions and 0 deletions
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src/Integrals_Monoelec/pot_mo_ints.irp.f
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@ -32,6 +32,7 @@ BEGIN_PROVIDER [double precision, mo_nucl_elec_integral_per_atom, (mo_tot_num_al
! where Rk is the geometry of the kth atom ! where Rk is the geometry of the kth atom
END_DOC END_DOC
integer :: k
mo_nucl_elec_integral_per_atom = 0.d0 mo_nucl_elec_integral_per_atom = 0.d0
do k = 1, nucl_num do k = 1, nucl_num
call ao_to_mo( & call ao_to_mo( &