35 lines
957 B
Fortran
35 lines
957 B
Fortran
BEGIN_PROVIDER [ integer, n_det_max_cisd ]
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implicit none
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BEGIN_DOC
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! Get n_det_max_cisd from EZFIO file
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END_DOC
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logical :: has_n_det_max_cisd
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PROVIDE ezfio_filename
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call ezfio_has_cisd_selected_n_det_max_cisd(has_n_det_max_cisd)
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if (has_n_det_max_cisd) then
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call ezfio_get_cisd_selected_n_det_max_cisd(n_det_max_cisd)
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else
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n_det_max_cisd = 30000
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call ezfio_set_cisd_selected_n_det_max_cisd(n_det_max_cisd)
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endif
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print*,'n_det_max_cisd = ',n_det_max_cisd
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END_PROVIDER
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BEGIN_PROVIDER [ double precision , pt2_max ]
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implicit none
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BEGIN_DOC
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! Get pt2_max from EZFIO file
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END_DOC
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logical :: has_pt2_max
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PROVIDE ezfio_filename
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call ezfio_has_cisd_selected_pt2_max(has_pt2_max)
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if (has_pt2_max) then
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call ezfio_get_cisd_selected_pt2_max(pt2_max)
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else
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pt2_max = 1.d-9
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call ezfio_set_cisd_selected_pt2_max(pt2_max)
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endif
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print*,'pt2_max = ',pt2_max
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END_PROVIDER
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