use bitmasks BEGIN_PROVIDER [ integer, N_det_generators ] implicit none BEGIN_DOC ! For Single reference wave functions, the number of generators is 1 : the ! Hartree-Fock determinant END_DOC N_det_generators = 1 END_PROVIDER BEGIN_PROVIDER [ integer(bit_kind), psi_generators, (N_int,2,1) ] implicit none BEGIN_DOC ! For Single reference wave functions, the generator is the ! Hartree-Fock determinant END_DOC psi_generators = 0_bit_kind integer :: i do i=1,N_int psi_generators(i,1,1) = HF_bitmask(i,1) psi_generators(i,2,1) = HF_bitmask(i,2) enddo END_PROVIDER