! DO NOT MODIFY BY HAND ! Created by $QP_ROOT/scripts/ezfio_interface/ei_handler.py ! from file /home/giner/qp_bis/quantum_package/src/MRPT_Utils/EZFIO.cfg BEGIN_PROVIDER [ logical, do_third_order_1h1p ] implicit none BEGIN_DOC ! If true, compute the third order contribution for the 1h1p END_DOC logical :: has PROVIDE ezfio_filename call ezfio_has_mrpt_utils_do_third_order_1h1p(has) if (has) then call ezfio_get_mrpt_utils_do_third_order_1h1p(do_third_order_1h1p) else print *, 'mrpt_utils/do_third_order_1h1p not found in EZFIO file' stop 1 endif END_PROVIDER BEGIN_PROVIDER [ logical, save_heff_eigenvectors ] implicit none BEGIN_DOC ! If true, you save the eigenvectors of the effective hamiltonian END_DOC logical :: has PROVIDE ezfio_filename call ezfio_has_mrpt_utils_save_heff_eigenvectors(has) if (has) then call ezfio_get_mrpt_utils_save_heff_eigenvectors(save_heff_eigenvectors) else print *, 'mrpt_utils/save_heff_eigenvectors not found in EZFIO file' stop 1 endif END_PROVIDER BEGIN_PROVIDER [ integer, n_states_diag_heff ] implicit none BEGIN_DOC ! Number of eigenvectors obtained with the effective hamiltonian END_DOC logical :: has PROVIDE ezfio_filename call ezfio_has_mrpt_utils_n_states_diag_heff(has) if (has) then call ezfio_get_mrpt_utils_n_states_diag_heff(n_states_diag_heff) else print *, 'mrpt_utils/n_states_diag_heff not found in EZFIO file' stop 1 endif END_PROVIDER BEGIN_PROVIDER [ logical, pure_state_specific_mrpt2 ] implicit none BEGIN_DOC ! If true, diagonalize the dressed matrix for each state and do a state following of the initial states END_DOC logical :: has PROVIDE ezfio_filename call ezfio_has_mrpt_utils_pure_state_specific_mrpt2(has) if (has) then call ezfio_get_mrpt_utils_pure_state_specific_mrpt2(pure_state_specific_mrpt2) else print *, 'mrpt_utils/pure_state_specific_mrpt2 not found in EZFIO file' stop 1 endif END_PROVIDER