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Merge branch 'dev-lct' of https://github.com/QuantumPackage/qp2 into dev-lct
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@ -15,6 +15,8 @@ double precision function ao_two_e_integral_erf(i,j,k,l)
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double precision :: Q_new(0:max_dim,3),Q_center(3),fact_q,qq
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double precision :: Q_new(0:max_dim,3),Q_center(3),fact_q,qq
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integer :: iorder_p(3), iorder_q(3)
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integer :: iorder_p(3), iorder_q(3)
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double precision :: ao_two_e_integral_schwartz_accel_erf
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double precision :: ao_two_e_integral_schwartz_accel_erf
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provide mu_erf
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if (ao_prim_num(i) * ao_prim_num(j) * ao_prim_num(k) * ao_prim_num(l) > 1024 ) then
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if (ao_prim_num(i) * ao_prim_num(j) * ao_prim_num(k) * ao_prim_num(l) > 1024 ) then
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ao_two_e_integral_erf = ao_two_e_integral_schwartz_accel_erf(i,j,k,l)
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ao_two_e_integral_erf = ao_two_e_integral_schwartz_accel_erf(i,j,k,l)
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@ -328,11 +328,12 @@ subroutine get_ao_two_e_integrals_non_zero_jl_from_list(j,l,thresh,list,n_list,s
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use map_module
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use map_module
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implicit none
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implicit none
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BEGIN_DOC
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BEGIN_DOC
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! Gets multiple AO bi-electronic integral from the AO map .
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! Gets multiple AO two-electron integrals from the AO map .
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! All non-zero i are retrieved for j,k,l fixed.
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! All non-zero i are retrieved for j,k,l fixed.
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END_DOC
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END_DOC
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double precision, intent(in) :: thresh
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double precision, intent(in) :: thresh
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integer, intent(in) :: j,l, n_list,list(2,sze_max),sze_max
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integer, intent(in) :: sze_max
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integer, intent(in) :: j,l, n_list,list(2,sze_max)
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real(integral_kind), intent(out) :: out_val(sze_max)
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real(integral_kind), intent(out) :: out_val(sze_max)
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integer, intent(out) :: out_val_index(2,sze_max),non_zero_int
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integer, intent(out) :: out_val_index(2,sze_max),non_zero_int
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