BEGIN_PROVIDER [double precision, mu_erf_dft] implicit none BEGIN_DOC ! range separation parameter used in RS-DFT. ! ! It is set to mu_erf in order to be consistent with the module "ao_two_e_erf_ints" END_DOC mu_erf_dft = mu_erf END_PROVIDER BEGIN_PROVIDER [double precision, mu_of_r_dft, (n_points_final_grid)] implicit none integer :: i do i = 1, n_points_final_grid if(mu_dft_type == "cst")then mu_of_r_dft(i) = mu_erf_dft else mu_of_r_dft(i) = mu_of_r_hf(i) endif enddo END_PROVIDER