|
Function Name  |
Hit count  |
| __xas_tdp_methods_MOD_compute_quadrupole_fosc |
0 |
| __xas_tdp_methods_MOD_print_checks |
0 |
| __xas_tdp_methods_MOD_read_donor_state_restart |
2 |
| __xas_tdp_methods_MOD_restart_calculation |
2 |
| __xas_tdp_methods_MOD_make_lumo_guess |
20 |
| __xas_tdp_methods_MOD_build_ot_spin_prec |
22 |
| __xas_tdp_methods_MOD_compute_lenrep_multipole |
24 |
| __xas_tdp_methods_MOD_print_xps |
30 |
| __xas_tdp_methods_MOD_diagonalize_assigned_mo_subset |
32 |
| __xas_tdp_methods_MOD_assign_mos_to_ex_atoms |
48 |
| __xas_tdp_methods_MOD_print_info |
48 |
| __xas_tdp_methods_MOD_safety_check |
48 |
| __xas_tdp_methods_MOD_write_mos_to_ex_atoms_association |
48 |
| __xas_tdp_methods_MOD_xas_tdp_core |
48 |
| __xas_tdp_methods_MOD_xas_tdp_init |
48 |
| __xas_tdp_methods_MOD_xas_tdp |
50 |
| __xas_tdp_methods_MOD_get_ri_3c_batches |
52 |
| __xas_tdp_methods_MOD_compute_dipole_fosc |
56 |
| __xas_tdp_methods_MOD_print_xas_tdp_to_file |
56 |
| __xas_tdp_methods_MOD_write_donor_state_restart |
60 |
| __xas_tdp_methods_MOD_xas_tdp_post |
62 |
| __xas_tdp_methods_MOD_assign_mos_to_donor_state |
68 |
| __xas_tdp_methods_MOD_perform_mulliken_on_donor_state |
68 |
| __xas_tdp_methods_MOD_find_mo_centers |
80 |
| __xas_tdp_methods_MOD_reinit_qs_loc_env |
80 |