! --- program write_ao_2e_tc_integ implicit none print *, ' j2e_type = ', j2e_type print *, ' j1e_type = ', j1e_type print *, ' env_type = ', env_type 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 call write_int(6, my_n_pt_r_grid, 'radial external grid over') call write_int(6, my_n_pt_a_grid, 'angular external grid over') if(tc_integ_type .eq. "numeric") then my_extra_grid_becke = .True. PROVIDE tc_grid2_a tc_grid2_r my_n_pt_r_extra_grid = tc_grid2_r my_n_pt_a_extra_grid = tc_grid2_a touch my_extra_grid_becke my_n_pt_r_extra_grid my_n_pt_a_extra_grid call write_int(6, my_n_pt_r_extra_grid, 'radial internal grid over') call write_int(6, my_n_pt_a_extra_grid, 'angular internal grid over') endif call main() end ! --- subroutine main() implicit none PROVIDE io_tc_integ print*, 'io_tc_integ = ', io_tc_integ if(io_tc_integ .ne. "Write") then print*, 'io_tc_integ != Write' print*, io_tc_integ stop endif PROVIDE ao_two_e_tc_tot end ! ---