! --- program tc_pt2_prog implicit none my_grid_becke = .True. PROVIDE tc_grid1_a tc_grid1_r my_n_pt_r_grid = tc_grid1_r my_n_pt_a_grid = tc_grid1_a touch my_grid_becke my_n_pt_r_grid my_n_pt_a_grid pruning = -1.d0 touch pruning read_wf = .True. touch read_wf ! pt2_relative_error = 0.01d0 ! touch pt2_relative_error call run_pt2_tc() end ! --- subroutine run_pt2_tc() implicit none PROVIDE psi_det psi_coef mo_bi_ortho_tc_two_e mo_bi_ortho_tc_one_e if(elec_alpha_num+elec_beta_num.ge.3) then if(three_body_h_tc)then call provide_all_three_ints_bi_ortho() endif endif call tc_pt2() end ! ---