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https://github.com/pfloos/quack
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26 lines
524 B
Fortran
26 lines
524 B
Fortran
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subroutine unrestricted_fock_exchange_energy(nBas,P,Fx,Ex)
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! Compute the (exact) Fock exchange energy
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implicit none
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! Input variables
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integer,intent(in) :: nBas
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double precision,intent(in) :: P(nBas,nBas)
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double precision,intent(in) :: Fx(nBas,nBas)
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! Local variables
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double precision,external :: trace_matrix
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! Output variables
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double precision,intent(out) :: Ex
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! Compute HF exchange energy
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Ex = trace_matrix(nBas,matmul(P,Fx))
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end subroutine unrestricted_fock_exchange_energy
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