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https://github.com/pfloos/quack
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35 lines
653 B
Fortran
35 lines
653 B
Fortran
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subroutine exchange_potential(nBas,c,Fx,Vx)
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! Compute the exchange potential in the MO 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) :: c(nBas,nBas)
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double precision,intent(in) :: Fx(nBas,nBas)
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! Local variables
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integer :: mu,nu
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integer :: p
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! Output variables
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double precision,intent(out) :: Vx(nBas)
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! Compute Vx
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Vx(:) = 0d0
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do p=1,nBas
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do mu=1,nBas
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do nu=1,nBas
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Vx(p) = Vx(p) + c(mu,p)*Fx(mu,nu)*c(nu,p)
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end do
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end do
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end do
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end subroutine exchange_potential
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