BEGIN_PROVIDER [ integer, elec_alpha_num ] implicit none BEGIN_DOC ! Number of alpha electrons END_DOC elec_alpha_num = -1 call get_electrons_elec_alpha_num(elec_alpha_num) if (elec_alpha_num <= 0) then call abrt(irp_here,'Number of alpha electrons should be > 0') endif END_PROVIDER BEGIN_PROVIDER [ integer, elec_beta_num ] implicit none BEGIN_DOC ! Number of beta electrons END_DOC elec_beta_num = 0 call get_electrons_elec_beta_num(elec_beta_num) if (elec_beta_num < 0) then call abrt(irp_here,'Number of beta electrons should be >= 0') endif END_PROVIDER BEGIN_PROVIDER [ integer, elec_num ] implicit none BEGIN_DOC ! Number of electrons END_DOC elec_num = elec_alpha_num + elec_beta_num ASSERT ( elec_num > 0 ) END_PROVIDER BEGIN_PROVIDER [ integer, elec_num_2, (2) ] BEGIN_DOC ! Number of alpha and beta electrons in an array END_DOC elec_num_2(1) = elec_alpha_num elec_num_2(2) = elec_beta_num END_PROVIDER