use bitmasks BEGIN_PROVIDER [ integer, N_det_generators ] implicit none BEGIN_DOC ! Read the wave function END_DOC integer :: i integer, save :: ifirst = 0 double precision :: norm read_wf = .True. if(ifirst == 0)then N_det_generators = N_det ifirst = 1 endif call write_int(output_dets,N_det_generators,'Number of generators') END_PROVIDER BEGIN_PROVIDER [ integer(bit_kind), psi_det_generators, (N_int,2,psi_det_size) ] &BEGIN_PROVIDER [ double precision, psi_coef_generators, (psi_det_size,N_states) ] implicit none BEGIN_DOC ! read wf ! END_DOC integer :: i, k integer, save :: ifirst = 0 if(ifirst == 0)then do i=1,N_det_generators do k=1,N_int psi_det_generators(k,1,i) = psi_det(k,1,i) psi_det_generators(k,2,i) = psi_det(k,2,i) enddo do k = 1, N_states psi_coef_generators(i,k) = psi_coef(i,k) enddo enddo ifirst = 1 endif END_PROVIDER BEGIN_PROVIDER [ integer, size_select_max] implicit none BEGIN_DOC ! Size of the select_max array END_DOC size_select_max = 10000 END_PROVIDER BEGIN_PROVIDER [ double precision, select_max, (size_select_max) ] implicit none BEGIN_DOC ! Memo to skip useless selectors END_DOC select_max = huge(1.d0) END_PROVIDER