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Function Name  |
Hit count  |
__optimize_embedding_potential_MOD_barzilai_borwein |
0 |
__optimize_embedding_potential_MOD_hessian_update |
0 |
__optimize_embedding_potential_MOD_inv_hessian_update |
0 |
__optimize_embedding_potential_MOD_embed_restart_file_name |
2 |
__optimize_embedding_potential_MOD_fab_update |
2 |
__optimize_embedding_potential_MOD_given_embed_pot |
2 |
__optimize_embedding_potential_MOD_leeuwen_baerends_potential_update |
2 |
__optimize_embedding_potential_MOD_level_shift |
2 |
__optimize_embedding_potential_MOD_step_control |
2 |
__optimize_embedding_potential_MOD_symm_rank_one_update |
2 |
__optimize_embedding_potential_MOD_von_weizsacker |
2 |
__optimize_embedding_potential_MOD_coulomb_guess |
4 |
__optimize_embedding_potential_MOD_grid_based_step |
4 |
__optimize_embedding_potential_MOD_read_embed_pot_cube |
4 |
__optimize_embedding_potential_MOD_read_embed_pot_vector |
4 |
__optimize_embedding_potential_MOD_grid_regularize |
6 |
__optimize_embedding_potential_MOD_read_embed_pot |
6 |
__optimize_embedding_potential_MOD_compute_kinetic_mat |
12 |
__optimize_embedding_potential_MOD_make_lri_object |
14 |
__optimize_embedding_potential_MOD_calculate_embed_pot_grad |
16 |
__optimize_embedding_potential_MOD_calculate_embed_pot_grad_inner |
16 |
__optimize_embedding_potential_MOD_find_aux_dimen |
18 |
__optimize_embedding_potential_MOD_update_embed_pot |
20 |
__optimize_embedding_potential_MOD_init_embed_pot |
24 |
__optimize_embedding_potential_MOD_opt_embed_step |
24 |
__optimize_embedding_potential_MOD_prepare_embed_opt |
24 |
__optimize_embedding_potential_MOD_read_opt_embed_section |
24 |
__optimize_embedding_potential_MOD_release_opt_embed |
24 |
__optimize_embedding_potential_MOD_understand_spin_states |
24 |
__optimize_embedding_potential_MOD_shifted_step |
32 |
__optimize_embedding_potential_MOD_print_rho_spin_diff |
38 |
__optimize_embedding_potential_MOD_conv_check_embed |
48 |
__optimize_embedding_potential_MOD_print_emb_opt_info |
48 |
__optimize_embedding_potential_MOD_print_rho_diff |
48 |
__optimize_embedding_potential_MOD_print_embed_restart |
72 |
__optimize_embedding_potential_MOD_print_folded_coordinates |
72 |
__optimize_embedding_potential_MOD_print_pot_simple_grid |
72 |
__optimize_embedding_potential_MOD_get_max_subsys_diff |
96 |
__optimize_embedding_potential_MOD_get_prev_density |
96 |
__optimize_embedding_potential_MOD_make_subsys_embed_pot |
120 |
__optimize_embedding_potential_MOD_max_dens_diff |
222 |