use bitmasks BEGIN_PROVIDER [ integer, N_det_generators_restart ] implicit none BEGIN_DOC ! Read the wave function END_DOC integer :: i integer, save :: ifirst = 0 double precision :: norm print*, ' Providing N_det_generators_restart' if(ifirst == 0)then call ezfio_get_determinants_n_det(N_det_generators_restart) ifirst = 1 else print*,'PB in generators_restart restart !!!' endif call write_int(output_determinants,N_det_generators_restart,'Number of generators_restart') END_PROVIDER BEGIN_PROVIDER [ integer(bit_kind), psi_det_generators_restart, (N_int,2,N_det_generators_restart) ] &BEGIN_PROVIDER [ integer(bit_kind), ref_generators_restart, (N_int,2) ] &BEGIN_PROVIDER [ double precision, psi_coef_generators_restart, (N_det_generators_restart,N_states) ] implicit none BEGIN_DOC ! read wf ! END_DOC integer :: i, k integer, save :: ifirst = 0 double precision, allocatable :: psi_coef_read(:,:) print*, ' Providing psi_det_generators_restart' if(ifirst == 0)then call read_dets(psi_det_generators_restart,N_int,N_det_generators_restart) do k = 1, N_int ref_generators_restart(k,1) = psi_det_generators_restart(k,1,1) ref_generators_restart(k,2) = psi_det_generators_restart(k,2,1) enddo allocate (psi_coef_read(N_det_generators_restart,N_states)) call ezfio_get_determinants_psi_coef(psi_coef_read) do k = 1, N_states do i = 1, N_det_generators_restart psi_coef_generators_restart(i,k) = psi_coef_read(i,k) enddo enddo ifirst = 1 deallocate(psi_coef_read) else print*,'PB in generators_restart restart !!!' 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 BEGIN_PROVIDER [ integer, N_det_generators ] &BEGIN_PROVIDER [ integer(bit_kind), psi_det_generators, (N_int,2,10000) ] &BEGIN_PROVIDER [ double precision, psi_coef_generators, (10000,N_states) ] END_PROVIDER