BEGIN_PROVIDER [ logical, write_mo_integrals ] implicit none BEGIN_DOC ! If true, write MO integrals in EZFIO END_DOC logical :: has PROVIDE ezfio_filename call ezfio_has_bielec_integrals_write_mo_integrals(has) if (has) then call ezfio_get_bielec_integrals_write_mo_integrals(write_mo_integrals) else write_mo_integrals = .False. endif END_PROVIDER BEGIN_PROVIDER [ logical, write_ao_integrals ] implicit none BEGIN_DOC ! If true, write AO integrals in EZFIO END_DOC logical :: has PROVIDE ezfio_filename call ezfio_has_bielec_integrals_write_ao_integrals(has) if (has) then call ezfio_get_bielec_integrals_write_ao_integrals(write_ao_integrals) else write_ao_integrals = .False. endif END_PROVIDER BEGIN_PROVIDER [ logical, read_mo_integrals ] implicit none BEGIN_DOC ! If true, read MO integrals in EZFIO END_DOC logical :: has PROVIDE ezfio_filename call ezfio_has_bielec_integrals_read_mo_integrals(has) if (has) then call ezfio_get_bielec_integrals_read_mo_integrals(read_mo_integrals) else read_mo_integrals = .False. endif END_PROVIDER BEGIN_PROVIDER [ logical, read_ao_integrals ] implicit none BEGIN_DOC ! If true, read AO integrals in EZFIO END_DOC logical :: has PROVIDE ezfio_filename call ezfio_has_bielec_integrals_read_ao_integrals(has) if (has) then call ezfio_get_bielec_integrals_read_ao_integrals(read_ao_integrals) else read_ao_integrals = .False. endif END_PROVIDER BEGIN_PROVIDER [ double precision, ao_integrals_threshold ] implicit none BEGIN_DOC ! If < ao_integrals_threshold, = 0 END_DOC logical :: has PROVIDE ezfio_filename call ezfio_has_bielec_integrals_threshold_ao(has) if (has) then call ezfio_get_bielec_integrals_threshold_ao(ao_integrals_threshold) else ao_integrals_threshold = 1.d-12 endif END_PROVIDER BEGIN_PROVIDER [ double precision, mo_integrals_threshold ] implicit none BEGIN_DOC ! If < mo_integrals_threshold, = 0 END_DOC logical :: has PROVIDE ezfio_filename call ezfio_has_bielec_integrals_threshold_mo(has) if (has) then call ezfio_get_bielec_integrals_threshold_mo(mo_integrals_threshold) else mo_integrals_threshold = 1.d-11 endif END_PROVIDER BEGIN_PROVIDER [ logical, do_direct_integrals ] implicit none BEGIN_DOC ! If True, compute integrals on the fly END_DOC logical :: has PROVIDE ezfio_filename call ezfio_has_bielec_integrals_direct(has) if (has) then call ezfio_get_bielec_integrals_direct(do_direct_integrals) else do_direct_integrals = .False. endif END_PROVIDER