1!dalton_copyright_start 2! 3! 4!dalton_copyright_end 5 6module lucita_mcscf_ci_cfg 7 8! stefan: please note that if you modify this module (e.g. add new variables) 9! do not forget to update sync_coworkers_citask (in module sync_coworkers 10! in file par_sync_cw.F90) 11 12 implicit none 13 14 save 15 16! parameter list 17 integer, parameter, public :: vector_exchange_types = 4 18 19! logical block 20 21 logical, public :: docisrdft_mc2lu = .false. 22 logical, public :: integrals_from_mcscf_env = .false. 23 logical, public :: mcscf_ci_update_ijkl = .true. 24 logical, public :: mcscf_orbital_trial_vector = .false. 25 logical, public :: mcscf_ci_trial_vector = .false. 26 logical, public :: io2io_vector_exchange_mc2lu_lu2mc = .false. 27 logical, public :: cref_is_active_bvec_for_sigma = .false. 28 logical, public :: vector_exchange_mc2lu_lu2mc_active = .false. 29 logical, public :: vector_update_mc2lu_lu2mc(1:2*vector_exchange_types) = .false. 30 31! character block 32 33! real(8) block 34 35 real(8), public :: einact_mc2lu = 0.0d0 36 37! integer block 38 39 integer, public :: len_cref_mc2lu = 0 40 integer, public :: len_hc_mc2lu = 0 41 integer, public :: len_resolution_mat_mc2lu = 0 42 integer, public :: len_int1_or_rho1_mc2lu = 0 43 integer, public :: len_int2_or_rho2_mc2lu = 0 44 45 integer, public :: vector_exchange_type1 = -1 46 integer, public :: vector_exchange_type2 = -1 47end module 48