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Here is a list of all module members with links to the module documentation for each member:
- o -
o3c_iterate() :
qs_o3c_types
o3c_iterator_create() :
qs_o3c_types
o3c_iterator_release() :
qs_o3c_types
o3c_vec_create() :
qs_o3c_types
o3c_vec_release() :
qs_o3c_types
oe_gllb :
input_constants
oe_lb :
input_constants
oe_none :
input_constants
oe_saop :
input_constants
oe_shift :
input_constants
oe_sic :
input_constants
offload_activate_chosen_device() :
offload_api
offload_create_buffer() :
offload_api
offload_free_buffer() :
offload_api
offload_free_pinned_mem() :
offload_api
offload_get_chosen_device() :
offload_api
offload_get_device_count() :
offload_api
offload_init() :
offload_api
offload_malloc_pinned_mem() :
offload_api
offload_mem_info() :
offload_api
offload_set_chosen_device() :
offload_api
offload_timeset() :
offload_api
offload_timestop() :
offload_api
one :
mathconstants
one_third_sum_diag() :
virial_methods
oneterm_diidii() :
rocm_backend
oneterm_dijdij() :
rocm_backend
oorootpi :
mathconstants
op_loc_berry :
input_constants
op_loc_boys :
input_constants
op_loc_l1_norm :
input_constants
op_loc_pipek :
input_constants
open_file() :
cp_files
operator2() :
ai_operators_r12
operator_coulomb :
constants_operator
operator_gauss :
constants_operator
operator_ra2m() :
ai_operator_ra2m
operator_truncated :
constants_operator
operator_verf :
constants_operator
operator_verfc :
constants_operator
operator_vgauss :
constants_operator
opt_embed_step() :
optimize_embedding_potential
opt_force_matching :
input_constants
optbas_build_neighborlist() :
optbas_opt_utils
optimize_basis_init_read_input() :
optimize_basis_utils
optimize_loc_berry() :
qs_loc_methods
optimize_loc_pipek() :
qs_loc_methods
optimize_lri_basis() :
lri_optimize_ri_basis
optimize_ri_basis_main() :
mp2_optimize_ri_basis
optimize_shell_core() :
shell_opt
optimizer_diis :
input_constants
optimizer_lin_eq_pcg :
input_constants
optimizer_pcg :
input_constants
optimizer_trustr :
input_constants
optx_lda_eval() :
xc_optx
optx_lda_info() :
xc_optx
optx_lsd_eval() :
xc_optx
optx_lsd_info() :
xc_optx
orb_dx2 :
input_constants
orb_dxy :
input_constants
orb_dy2 :
input_constants
orb_dyz :
input_constants
orb_dz2 :
input_constants
orb_dzx :
input_constants
orb_px :
input_constants
orb_py :
input_constants
orb_pz :
input_constants
orb_s :
input_constants
orbptr :
qs_dftb_matrices
orbtramat :
orbital_transformation_matrices
orthogonalize_mos() :
almo_scf_methods
orthogonalize_smeared_occupation() :
qs_tddfpt2_smearing_methods
orthonormalize_gcc() :
lri_optimize_ri_basis_types
ortiz1994 :
bibliography
os_2center() :
ai_oneelectron
os_3center() :
ai_oneelectron
os_overlap2() :
ai_overlap_debug
os_overlap3() :
ai_overlap3_debug
os_rr_coul() :
ai_os_rr
os_rr_ovlp() :
ai_os_rr
ot2cdft :
input_constants
ot_algo_irac :
input_constants
ot_algo_taylor_or_diag :
input_constants
ot_chol_irac :
input_constants
ot_diag_method_nr :
qs_scf_types
ot_eigensolver() :
qs_ot_eigensolver
ot_lwdn_irac :
input_constants
ot_method_nr :
qs_scf_types
ot_mini() :
qs_ot_minimizer
ot_mini_broyden :
input_constants
ot_mini_cg :
input_constants
ot_mini_diis :
input_constants
ot_mini_sd :
input_constants
ot_poly_irac :
input_constants
ot_precond_full_all :
input_constants
ot_precond_full_kinetic :
input_constants
ot_precond_full_single :
input_constants
ot_precond_full_single_inverse :
input_constants
ot_precond_none :
input_constants
ot_precond_s_inverse :
input_constants
ot_precond_solver_default :
input_constants
ot_precond_solver_direct :
input_constants
ot_precond_solver_inv_chol :
input_constants
ot_precond_solver_update :
input_constants
ot_readwrite_input() :
qs_ot_types
ot_scf_destroy() :
qs_ot_scf
ot_scf_init() :
qs_ot_scf
ot_scf_mini() :
qs_ot_scf
ot_scf_read_input() :
qs_ot_scf
outer_loop_extrapolate() :
qs_outer_scf
outer_loop_gradient() :
qs_outer_scf
outer_loop_optimize() :
qs_outer_scf
outer_loop_purge_history() :
qs_outer_scf
outer_loop_switch() :
qs_outer_scf
outer_loop_update_qs_env() :
qs_outer_scf
outer_loop_variables_count() :
qs_outer_scf
outer_scf_basis_center_opt :
input_constants
outer_scf_becke_constraint :
input_constants
outer_scf_cdft_constraint :
input_constants
outer_scf_ddapc_constraint :
input_constants
outer_scf_hirshfeld_constraint :
input_constants
outer_scf_none :
input_constants
outer_scf_optimizer_bisect :
input_constants
outer_scf_optimizer_broyden :
input_constants
outer_scf_optimizer_diis :
input_constants
outer_scf_optimizer_newton :
input_constants
outer_scf_optimizer_newton_ls :
input_constants
outer_scf_optimizer_none :
input_constants
outer_scf_optimizer_sd :
input_constants
outer_scf_optimizer_secant :
input_constants
outer_scf_read_parameters() :
outer_scf_control_types
outer_scf_s2_constraint :
input_constants
output_field() :
rt_bse_io
output_moments() :
rt_bse_io
output_moments_ft() :
rt_bse_io
output_mos_contravariant() :
rt_bse_io
output_mos_covariant() :
rt_bse_io
output_polarizability() :
rt_bse_io
output_restart() :
rt_bse_io
overlap() :
ai_overlap
overlap3() :
ai_overlap3
overlap_aab() :
ai_overlap
overlap_aabb() :
ai_overlap_aabb
overlap_aabb_test() :
debug_os_integrals
overlap_ab() :
ai_overlap
overlap_ab_s() :
ai_overlap
overlap_ab_sp() :
ai_overlap
overlap_ab_test() :
debug_os_integrals
overlap_abb() :
ai_overlap
overlap_abc_test() :
debug_os_integrals
overlap_condnum() :
qs_condnum
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