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fixed bug with Enuc in SCF energy

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This commit is contained in:
Kevin Gasperich 2020-01-31 12:00:23 -06:00
parent 0b0a7520af
commit 5e83a2a853
1 changed files with 1 additions and 1 deletions
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src/scf_utils/fock_matrix.irp.f
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@ -160,7 +160,7 @@ BEGIN_PROVIDER [ double precision, SCF_energy ]
integer :: i,j
if (is_periodic) then
complex*16 :: scf_e_tmp
scf_e_tmp = (0.d0,0.d0)
scf_e_tmp = dcmplx(SCF_energy,0.d0)
do j=1,ao_num
do i=1,ao_num
scf_e_tmp += 0.5d0 * ( &