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https://github.com/pfloos/quack
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39 lines
719 B
Fortran
39 lines
719 B
Fortran
subroutine anomalous_matrix_AO_basis(nBas,sigma,Pa,ERI,L)
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! Compute anomalous L matrix in the AO basis
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implicit none
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include 'parameters.h'
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! Input variables
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integer,intent(in) :: nBas
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double precision,intent(in) :: sigma
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double precision,intent(in) :: Pa(nBas,nBas)
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double precision,intent(in) :: ERI(nBas,nBas,nBas,nBas)
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! Local variables
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integer :: mu,nu,la,si
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! Output variables
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double precision,intent(out) :: L(nBas,nBas)
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L(:,:) = 0d0
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do nu=1,nBas
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do si=1,nBas
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do la=1,nBas
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do mu=1,nBas
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L(mu,nu) = L(mu,nu) + sigma*Pa(la,si)*ERI(la,si,mu,nu)
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end do
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end do
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end do
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end do
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end subroutine
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! ---
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