mirror of https://github.com/pfloos/quack
32 lines
605 B
Fortran
32 lines
605 B
Fortran
subroutine FCI(nBas,nC,nO,nV,nR,ERI,e)
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! Perform a full configuration interaction calculation
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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,nC,nO,nV,nR
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double precision,intent(in) :: e(nBas)
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double precision,intent(in) :: ERI(nBas,nBas,nBas,nBas)
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! Local variables
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! Hello world
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write(*,*)
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write(*,*)'**********************************'
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write(*,*)'| Full Configuration Interaction |'
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write(*,*)'**********************************'
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write(*,*)
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! Form FCI vector
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! Form FCI matrix
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! Diagonalize FCI matrix
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end subroutine FCI
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