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24 lines
521 B
Fortran
24 lines
521 B
Fortran
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subroutine extract_cas
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implicit none
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BEGIN_DOC
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! Replaces the total wave function by the normalized projection on the CAS.
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END_DOC
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integer :: i,j,k
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do k=1,N_states
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do j=1,N_det_generators
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psi_coef(j,k) = psi_coef_generators(j,k)
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enddo
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enddo
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do j=1,N_det_generators
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do k=1,N_int
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psi_det(k,1,j) = psi_det_generators(k,1,j)
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psi_det(k,2,j) = psi_det_generators(k,2,j)
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enddo
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enddo
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N_det = N_det_generators
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SOFT_TOUCH N_det psi_det psi_coef
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end
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