1!dalton_copyright_start
2!
3!
4!dalton_copyright_end
5
6module lucita_mcscf_srdftci_cfg
7
8!
9! add some explanation(s)...
10!
11
12  implicit none
13
14  save
15
16! integer
17  integer, parameter,   public :: nr_of_weights_max            =  100
18
19! input parameters
20  real(8),              public :: weights(1:nr_of_weights_max) =  0.0d0
21  integer,              public :: nr_of_weights                = -1
22
23  integer,              public :: srdft_restart_ci             =  0
24
25! parameters
26
27! logical block
28  logical,              public :: srdft_ci_1pdens_cref_restore = .false.
29  logical,              public :: srdft_ci_with_lucita         = .false.
30  logical,              public :: do_sc_ensemble_dft           = .false.
31
32! double precision block
33
34  real(8), allocatable, public :: srdft_srac_lucita(:)
35  real(8), allocatable, public :: srdft_cmo_lucita(:)
36  real(8),              public :: emydft_mc2lu                 =  0.0d0
37  real(8),              public :: emydftaux_mc2lu              =  0.0d0
38  real(8),              public :: ejcsr_mc2lu                  =  0.0d0
39  real(8),              public :: ejvsr_mc2lu                  =  0.0d0
40  real(8),              public :: edsr_mc2lu                   =  0.0d0
41  real(8),              public :: edft_mc2lu(3)                =  0.0d0
42
43
44end module
45