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https://github.com/pfloos/quack
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39 lines
844 B
Fortran
39 lines
844 B
Fortran
subroutine MP3_correlation_energy(nC,nO,nV,nR,OOVV,t2,v,delta_OOVV,EcMP3)
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! Compute the MP3 correlation energy
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implicit none
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! Input variables
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integer,intent(in) :: nC,nO,nV,nR
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double precision,intent(in) :: OOVV(nO-nC,nO-nC,nV-nR,nV-nR)
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double precision,intent(in) :: t2(nO-nC,nO-nC,nV-nR,nV-nR)
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double precision,intent(in) :: v(nO-nC,nO-nC,nV-nR,nV-nR)
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double precision,intent(in) :: delta_OOVV(nO-nC,nO-nC,nV-nR,nV-nR)
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! Local variables
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integer :: i,j,a,b
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! Output variables
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double precision,intent(out) :: EcMP3
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EcMP3 = 0d0
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do i=1,nO-nC
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do j=1,nO-nC
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do a=1,nV-nR
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do b=1,nV-nR
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EcMP3 = EcMP3 + OOVV(i,j,a,b)*(t2(i,j,a,b) + v(i,j,a,b)/delta_OOVV(i,j,a,b))
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enddo
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enddo
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enddo
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enddo
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EcMP3 = 0.25d0*EcMP3
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end subroutine
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