use bitmasks BEGIN_SHELL [ /bin/bash ] ./h_apply.py END_SHELL BEGIN_PROVIDER [ integer, psi_ref_size ] implicit none psi_ref_size = psi_det_size END_PROVIDER BEGIN_PROVIDER [ integer, N_det_ref] implicit none N_det_ref = N_det END_PROVIDER BEGIN_PROVIDER [ integer(bit_kind), psi_ref, (N_int,2,psi_ref_size) ] &BEGIN_PROVIDER [ double precision, psi_ref_coef, (psi_ref_size,N_states) ] implicit none BEGIN_DOC ! On what we apply for perturbation. If selection, it may be 0.9 of the norm. END_DOC integer :: i,k do i=1,N_det_ref do k=1,N_int psi_ref(k,1,i) = psi_det(k,1,i) psi_ref(k,2,i) = psi_det(k,2,i) enddo enddo do k=1,N_states do i=1,N_det_ref psi_ref_coef(i,k) = psi_coef(i,k) enddo enddo END_PROVIDER