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63 lines
1.7 KiB
Fortran
63 lines
1.7 KiB
Fortran
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program SVD_rank
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BEGIN_DOC
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! rank SVD
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END_DOC
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implicit none
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read_wf = .True.
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TOUCH read_wf
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call run()
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end
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subroutine run
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implicit none
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integer :: mm, nn, mn, i_state, low_r
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double precision, allocatable :: Uezf_FSVD(:,:,:), Dezf_FSVD(:,:), Vezf_FSVD(:,:,:)
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double precision, allocatable :: Uezf_TSVD(:,:,:), Dezf_TSVD(:,:), Vezf_TSVD(:,:,:)
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i_state = 1
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mm = n_det_alpha_unique
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nn = n_det_beta_unique
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mn = min(mm,nn)
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! read TSVD
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allocate( Uezf_FSVD(mm,mm,1), Dezf_FSVD(mn,1), Vezf_FSVD(nn,nn,1) )
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call ezfio_get_spindeterminants_psi_svd_alpha(Uezf_FSVD)
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call ezfio_get_spindeterminants_psi_svd_beta (Vezf_FSVD)
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call ezfio_get_spindeterminants_psi_svd_coefs(Dezf_FSVD)
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! new TSVD
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low_r = 100
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call ezfio_set_spindeterminants_n_svd_coefs(low_r)
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Dezf_TSVD( 1:low_r,1) = Dezf_FSVD( 1:low_r,1)
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Uezf_TSVD(1:mm,1:low_r,1) = Uezf_FSVD(1:mm,1:low_r,1)
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Vezf_TSVD(1:nn,1:low_r,1) = Vezf_FSVD(1:nn,1:low_r,1)
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deallocate( Uezf_FSVD, Dezf_FSVD, Vezf_FSVD )
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call ezfio_set_spindeterminants_psi_svd_alpha(Uezf_TSVD)
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call ezfio_set_spindeterminants_psi_svd_beta (Vezf_TSVD)
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call ezfio_set_spindeterminants_psi_svd_coefs(Dezf_TSVD)
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deallocate( Uezf_TSVD, Dezf_TSVD, Vezf_TSVD )
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!call ezfio_set_spindeterminants_n_det(N_det)
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!call ezfio_set_spindeterminants_n_states(N_states)
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!call ezfio_set_spindeterminants_n_det_alpha(n_det_alpha_unique)
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!call ezfio_set_spindeterminants_n_det_beta(n_det_beta_unique)
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!call ezfio_set_spindeterminants_psi_coef_matrix_rows(psi_bilinear_matrix_rows)
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!call ezfio_set_spindeterminants_psi_coef_matrix_columns(psi_bilinear_matrix_columns)
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!call ezfio_set_spindeterminants_psi_coef_matrix_values(psi_bilinear_matrix_values)
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end
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