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Here is a list of all module members with links to the module documentation for each member:
- n -
n_approx :
minimax_exp_k53
n_avogadro :
physcon
n_minimax_max :
eri_mme_types
nbib :
reference_manager
nco :
orbital_pointers
ncoset :
orbital_pointers
,
rocm_backend
nddo_mpole_create() :
semi_empirical_mpole_types
nddo_mpole_release() :
semi_empirical_mpole_types
nddo_mpole_setup() :
semi_empirical_mpole_methods
ndims_iterator() :
dbt_block
ndims_mapping() :
dbt_index
ndims_mapping_column() :
dbt_index
ndims_mapping_row() :
dbt_index
ndims_matrix_column() :
dbt_types
ndims_matrix_row() :
dbt_types
ndims_tensor() :
dbt_types
nearest_distance() :
tmc_calculations
neb() :
neb_methods
neb_calc_energy_forces() :
neb_utils
neb_initialize_velocity() :
neb_md_utils
neb_ls() :
neb_opt_utils
neb_rep_env_map_info() :
neb_io
neb_var_create() :
neb_types
neb_var_release() :
neb_types
need_per_atom_wiener_process() :
md_environment_types
negf_contact_broadening_matrix() :
negf_green_methods
negf_contact_self_energy() :
negf_green_methods
negf_control_create() :
negf_control_types
negf_control_release() :
negf_control_types
negf_copy_contact_matrix() :
negf_matrix_utils
negf_copy_fm_submat_to_dbcsr() :
negf_matrix_utils
negf_copy_sym_dbcsr_to_fm_submat() :
negf_matrix_utils
negf_env_create() :
negf_env_types
negf_env_release() :
negf_env_types
negf_map_atomic_indices() :
negf_atom_map
negf_reference_contact_matrix() :
negf_matrix_utils
negf_retarded_green_function() :
negf_green_methods
negf_run :
input_constants
negf_sub_env_create() :
negf_subgroup_types
negf_sub_env_release() :
negf_subgroup_types
negfint_method_cc :
input_constants
negfint_method_simpson :
input_constants
negfrun_fermilevel :
input_constants
negfrun_main :
input_constants
neighbor_list_3c_destroy() :
qs_tensors
neighbor_list_3c_iterate() :
qs_tensors
neighbor_list_3c_iterator_create() :
qs_tensors
neighbor_list_3c_iterator_destroy() :
qs_tensors
neighbor_list_iterate() :
qs_neighbor_list_types
neighbor_list_iterator_create() :
qs_neighbor_list_types
neighbor_list_iterator_release() :
qs_neighbor_list_types
nelem :
periodic_table
nequip_add_force_virial() :
manybody_nequip
nequip_energy_store_force_virial() :
manybody_nequip
nequip_type :
pair_potential_types
neumann_bc :
ps_implicit_types
neumannx :
dct
neumannxy :
dct
neumannxyz :
dct
neumannxz :
dct
neumanny :
dct
neumannyz :
dct
neumannz :
dct
neutlead_bs :
input_constants
neutlead_dos :
input_constants
newline :
string_utilities
newton :
physcon
next_image_cell_perd() :
hfx_helpers
next_rng_seed() :
parallel_rng_types
nhc_to_barostat_mapping() :
extended_system_mapping
nhc_to_particle_mapping() :
extended_system_mapping
nhc_to_particle_mapping_fast() :
extended_system_mapping
nhc_to_particle_mapping_slow() :
extended_system_mapping
nhc_to_shell_mapping() :
extended_system_mapping
niklasson2003 :
bibliography
niklasson2014 :
bibliography
nl_hash_table_add() :
qs_nl_hash_table_types
nl_hash_table_create() :
qs_nl_hash_table_types
nl_hash_table_get_from_index() :
qs_nl_hash_table_types
nl_hash_table_is_null() :
qs_nl_hash_table_types
nl_hash_table_release() :
qs_nl_hash_table_types
nl_hash_table_status() :
qs_nl_hash_table_types
nl_set_sub_iterator() :
qs_neighbor_list_types
nl_sub_iterate() :
qs_neighbor_list_types
nmr_env_cleanup() :
qs_linres_nmr_utils
nmr_env_init() :
qs_linres_nmr_utils
nmr_shift() :
qs_linres_nmr_shift
nmr_shift_print() :
qs_linres_nmr_shift
nn10_coeffs :
pw_spline_utils
nn10_deriv_coeffs :
pw_spline_utils
nn50_coeffs :
pw_spline_utils
nn50_deriv_coeffs :
pw_spline_utils
nn_type :
pair_potential_types
nnp_actfnct_cos :
nnp_environment_types
nnp_actfnct_exp :
nnp_environment_types
nnp_actfnct_gaus :
nnp_environment_types
nnp_actfnct_invsig :
nnp_environment_types
nnp_actfnct_lin :
nnp_environment_types
nnp_actfnct_quad :
nnp_environment_types
nnp_actfnct_sig :
nnp_environment_types
nnp_actfnct_softplus :
nnp_environment_types
nnp_actfnct_tanh :
nnp_environment_types
nnp_calc_acsf() :
nnp_acsf
nnp_calc_energy_force() :
nnp_force
nnp_cut_cos :
nnp_environment_types
nnp_cut_tanh :
nnp_environment_types
nnp_env_get() :
nnp_environment_types
nnp_env_release() :
nnp_environment_types
nnp_env_set() :
nnp_environment_types
nnp_gradients() :
nnp_model
nnp_init() :
nnp_environment
nnp_init_acsf_groups() :
nnp_acsf
nnp_init_model() :
nnp_environment
nnp_predict() :
nnp_model
nnp_sort_acsf() :
nnp_acsf
nnp_sort_ele() :
nnp_acsf
nnp_write_acsf() :
nnp_acsf
nnp_write_arc() :
nnp_model
no_admm_type :
input_constants
no_colvar_id :
colvar_types
no_conf :
input_constants
no_damping :
damping_dipole_types
no_excitations :
input_constants
no_guess :
input_constants
no_mix :
input_constants
no_mixing_nr :
qs_density_mixing_types
no_potential_single_allocation :
pair_potential_types
no_precond :
pw_spline_utils
no_pseudo :
input_constants
no_solver :
input_constants
no_t :
input_val_types
nonbonded_correction() :
xtb_potentials
none_run :
input_constants
none_ts_method_id :
input_constants
nonscf() :
qs_nonscf
normalmode_calc_uf_h() :
pint_normalmode
normalmode_env_create() :
pint_normalmode
normalmode_f2uf() :
pint_normalmode
normalmode_init_masses() :
pint_normalmode
normalmode_release() :
pint_normalmode
normalmode_u2x() :
pint_normalmode
normalmode_x2u() :
pint_normalmode
nose1984a :
bibliography
nose1984b :
bibliography
nosh_nosh :
pair_potential_types
nosh_sh :
pair_potential_types
not_initialized :
pair_potential_types
npe_f_ensemble :
input_constants
npe_i_ensemble :
input_constants
nph_ensemble :
input_constants
nph_uniaxial() :
integrator
nph_uniaxial_damped() :
integrator
nph_uniaxial_damped_ensemble :
input_constants
nph_uniaxial_ensemble :
input_constants
npt_f() :
integrator
npt_f_ensemble :
input_constants
npt_i() :
integrator
npt_i_ensemble :
input_constants
npt_ia_ensemble :
input_constants
nr_mv_types :
tmc_move_types
nso :
orbital_pointers
nsoset :
orbital_pointers
nucint_d_num() :
semi_empirical_int_num
nucint_sp_num() :
semi_empirical_int_num
num_basis :
atom_types
number_of_arrays() :
dbt_array_list_methods
number_of_atomic_orbitals() :
negf_matrix_utils
number_of_colvar() :
colvar_utils
numerical :
input_constants
numpot_matrix() :
atom_utils
nve() :
integrator
nve_ensemble :
input_constants
nve_respa() :
integrator
nvt() :
integrator
nvt_adiabatic() :
integrator
nvt_adiabatic_ensemble :
input_constants
nvt_ensemble :
input_constants
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