BEGIN_PROVIDER [ logical, initialize_dress_E0_denominator ] implicit none BEGIN_DOC ! If true, initialize dress_E0_denominator END_DOC initialize_dress_E0_denominator = .True. END_PROVIDER BEGIN_PROVIDER [ double precision, dress_E0_denominator, (N_states) ] implicit none BEGIN_DOC ! E0 in the denominator of the dress END_DOC integer :: i if (initialize_dress_E0_denominator) then call u_0_H_u_0(dress_E0_denominator,psi_coef,N_det,psi_det,N_int,N_states,size(psi_coef,1)) do i=N_det+1,N_states dress_E0_denominator(i) = 0.d0 enddo call write_double(6,dress_E0_denominator(1)+nuclear_repulsion, 'dress Energy denominator') else dress_E0_denominator = -huge(1.d0) endif END_PROVIDER