|
Function Name  |
Hit count  |
__tblite_interface_MOD_tb_add_stress |
14 |
__tblite_interface_MOD_tb_add_sig |
28 |
__tblite_interface_MOD_tb_derive_dh_diag |
28 |
__tblite_interface_MOD_tb_derive_dh_off |
28 |
__tblite_interface_MOD_tb_init_geometry |
40 |
__tblite_interface_MOD_tb_init_wf |
40 |
__tblite_interface_MOD_tb_set_calculator |
40 |
__tblite_interface_MOD_tb_add_grad |
56 |
__tblite_interface_MOD_tb_get_basis |
112 |
__tblite_interface_MOD_tb_get_multipole |
182 |
__tblite_interface_MOD_tb_zero_force |
644 |
__tblite_interface_MOD_build_tblite_matrices |
684 |
__tblite_interface_MOD_tb_init_ham |
684 |
__tblite_interface_MOD_tb_update_geometry |
684 |
__tblite_interface_MOD_tb_grad2force |
1872 |
__tblite_interface_MOD_tb_get_energy |
8472 |
__tblite_interface_MOD_tb_ham_add_coulomb |
9102 |
__tblite_interface_MOD_tb_update_charges |
17574 |
__tblite_interface_MOD_contract_dens |
34200 |