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@ -36,5 +36,5 @@ python:
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script:
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- ./configure --install all --config ./config/travis.cfg
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- source ./quantum_package.rc ; ninja -j 1 -v
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- source ./quantum_package.rc ; qp_test -a
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# - source ./quantum_package.rc ; ninja -j 1 -v
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# - source ./quantum_package.rc ; qp_test -a
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@ -1776,12 +1776,12 @@ subroutine ac_operator(iorb,ispin,key,hjj,Nint,na,nb)
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integer :: k,l,i
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if (iorb < 1) then
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print *, irp_here, 'iorb < 1'
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print *, irp_here, ': iorb < 1'
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print *, iorb, mo_num
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stop -1
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endif
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if (iorb > mo_num) then
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print *, irp_here, 'iorb > mo_num'
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print *, irp_here, ': iorb > mo_num'
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print *, iorb, mo_num
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stop -1
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endif
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@ -354,6 +354,31 @@ subroutine write_spindeterminants
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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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end
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subroutine read_spindeterminants
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use bitmasks
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implicit none
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integer :: k
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call ezfio_get_spindeterminants_n_det(N_det)
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call ezfio_get_spindeterminants_n_states(N_states)
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TOUCH N_det N_states
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call ezfio_get_spindeterminants_n_det_alpha(N_det_alpha_unique)
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call ezfio_get_spindeterminants_n_det_beta(N_det_beta_unique)
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call ezfio_get_spindeterminants_psi_coef_matrix_values(psi_bilinear_matrix_values)
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call ezfio_get_spindeterminants_psi_coef_matrix_rows(psi_bilinear_matrix_rows)
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call ezfio_get_spindeterminants_psi_coef_matrix_columns(psi_bilinear_matrix_columns)
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call ezfio_get_spindeterminants_psi_det_alpha(psi_det_alpha_unique)
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call ezfio_get_spindeterminants_psi_det_beta(psi_det_beta_unique)
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do k=1,N_det
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psi_bilinear_matrix_order(k) = k
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enddo
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TOUCH psi_bilinear_matrix_values psi_bilinear_matrix_rows psi_bilinear_matrix_columns N_det_alpha_unique N_det_beta_unique psi_det_alpha_unique psi_det_beta_unique psi_bilinear_matrix_order
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call wf_of_psi_bilinear_matrix(.True.)
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end
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BEGIN_PROVIDER [ double precision, det_alpha_norm, (N_det_alpha_unique) ]
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