use bitmasks BEGIN_PROVIDER [ integer, psi_selectors_size ] implicit none psi_selectors_size = psi_det_size END_PROVIDER BEGIN_PROVIDER [ double precision, psi_selectors_coef_transp, (N_states,psi_selectors_size) ] implicit none BEGIN_DOC ! Transposed psi_selectors END_DOC integer :: i,k do i=1,N_det_selectors do k=1,N_states psi_selectors_coef_transp(k,i) = psi_selectors_coef(i,k) enddo enddo END_PROVIDER BEGIN_PROVIDER [ double precision, psi_selectors_diag_h_mat, (psi_selectors_size) ] implicit none BEGIN_DOC ! Diagonal elements of the H matrix for each selectors END_DOC integer :: i double precision :: diag_H_mat_elem do i = 1, N_det_selectors psi_selectors_diag_h_mat(i) = diag_H_mat_elem(psi_selectors(1,1,i),N_int) enddo END_PROVIDER