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35 lines
1.1 KiB
Fortran
35 lines
1.1 KiB
Fortran
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!!!!! FUNCTIONS THAT WORK BUT WHICH ARE USELESS AS THE ARRAYS CAN ALWAYS BE STORED
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!double precision function bielecCI_chol(i_a, j_a, k_a, i_mo)
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! BEGIN_DOC
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! ! function that computes (i_a j_a |k_a j_mo) with Cholesky decomposition
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! !
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! ! where i_a, j_a, k_a are in [1:n_act_orb] !!! ONLY ON ACTIVE
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! END_DOC
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! implicit none
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! integer, intent(in) :: i_a, j_a, k_a, i_mo
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! integer :: ii_a, jj_a, kk_a
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! double precision :: mo_two_e_integral
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! ii_a = list_act(i_a)
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! jj_a = list_act(j_a)
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! kk_a = list_act(k_a)
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! bielecCI_chol = mo_two_e_integral(ii_a,kk_a,jj_a,i_mo)
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!end
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!double precision function bielecCI_no_chol(i_ca, j_ca, k_ca, i_mo)
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! BEGIN_DOC
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! ! function that computes (i_ca j_ca |k_ca j_mo) with Cholesky decomposition on the NO basis for active orbitals
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! !
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! ! where i_ca, j_ca, k_ca are in [1:n_core_inact_act_orb]
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! END_DOC
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! implicit none
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! integer, intent(in) :: i_ca, j_ca, k_ca, i_mo
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! integer :: ii_ca, jj_ca, kk_ca
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! double precision :: bielec_no_basis_chol
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! ii_ca = list_act(i_ca)
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! jj_ca = list_act(j_ca)
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! kk_ca = list_act(k_ca)
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! bielecCI_no_chol = bielec_no_basis_chol(ii_ca, jj_ca, kk_ca, i_mo)
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!
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!end
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