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