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Merge branch 'dev-stable' of github.com:QuantumPackage/qp2 into dev-stable
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Anthony Scemama 2023-02-22 09:59:28 +01:00
commit ad02fa9694
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src/tc_bi_ortho/slater_tc_opt_diag.irp.f
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@ -88,7 +88,7 @@ subroutine diag_htilde_mu_mat_fock_bi_ortho(Nint, det_in, hmono, htwoe, hthree,
call a_tc_operator ( occ_hole (i,ispin), ispin, det_tmp, hmono,htwoe,hthree, Nint,na,nb)
enddo
enddo
htot = hmono+htwoe+hthree
htot = hmono+htwoe+hthree+nuclear_repulsion
end
subroutine ac_tc_operator(iorb,ispin,key,hmono,htwoe,hthree,Nint,na,nb)