Here is a list of all module members with links to the module documentation for each member:

- x -

x_axis : dirichlet_bc_types
x_br_lsd_y_gt_0() : xc_xbecke_roussel
x_br_lsd_y_gt_0_cutoff() : xc_xbecke_roussel
x_br_lsd_y_lte_0() : xc_xbecke_roussel
x_br_lsd_y_lte_0_cutoff() : xc_xbecke_roussel
x_to_yz() : fft_tools
xa : ai_eri_debug, ai_overlap3_debug, ai_overlap_debug
xalmo_case_block_diag : input_constants
xalmo_case_fully_deloc : input_constants
xalmo_case_normal : input_constants
xalmo_initial_guess() : almo_scf_methods
xalmo_prec_domain : input_constants
xalmo_prec_full : input_constants
xalmo_prec_zero : input_constants
xalmo_trial_r0_out : input_constants
xalmo_trial_simplex : input_constants
xalpha : xc_input_constants
xalpha_fxc_eval() : xc_xalpha
xalpha_info() : xc_xalpha
xalpha_lda_eval() : xc_xalpha
xalpha_lsd_eval() : xc_xalpha
xas() : xas_methods
xas_1s_type : input_constants
xas_2p_type : input_constants
xas_2s_type : input_constants
xas_3d_type : input_constants
xas_3p_type : input_constants
xas_3s_type : input_constants
xas_4d_type : input_constants
xas_4f_type : input_constants
xas_4p_type : input_constants
xas_4s_type : input_constants
xas_atom_env_create() : xas_tdp_types
xas_atom_env_release() : xas_tdp_types
xas_control_create() : xas_control
xas_control_release() : xas_control
xas_dip_len : input_constants
xas_dip_vel : input_constants
xas_do_tp_scf() : xas_tp_scf
xas_dscf : input_constants
xas_env_create() : xas_env_types
xas_env_release() : xas_env_types
xas_initialize_rho() : xas_restart
xas_none : input_constants
xas_not_excited : input_constants
xas_read_restart() : xas_restart
xas_scf_default : input_constants
xas_scf_general : input_constants
xas_tdp() : xas_tdp_methods
xas_tdp_by_index : input_constants
xas_tdp_by_kind : input_constants
xas_tdp_control_create() : xas_tdp_types
xas_tdp_control_release() : xas_tdp_types
xas_tdp_env_create() : xas_tdp_types
xas_tdp_env_release() : xas_tdp_types
xas_tdp_init() : xas_tdp_methods
xas_tdp_roks : input_constants
xas_tdp_uks : input_constants
xas_tp_fh : input_constants
xas_tp_flex : input_constants
xas_tp_hh : input_constants
xas_tp_xfh : input_constants
xas_tp_xhh : input_constants
xas_write_restart() : xas_restart
xb : ai_eri_debug, ai_overlap3_debug, ai_overlap_debug
xb88_lda_eval() : xc_xbecke88
xb88_lda_info() : xc_xbecke88
xb88_lr_adiabatic_lda_eval() : xc_xbecke88_lr_adiabatic
xb88_lr_adiabatic_lda_info() : xc_xbecke88_lr_adiabatic
xb88_lr_adiabatic_lsd_eval() : xc_xbecke88_lr_adiabatic
xb88_lr_adiabatic_lsd_info() : xc_xbecke88_lr_adiabatic
xb88_lr_lda_eval() : xc_xbecke88_long_range
xb88_lr_lda_info() : xc_xbecke88_long_range
xb88_lr_lsd_eval() : xc_xbecke88_long_range
xb88_lr_lsd_info() : xc_xbecke88_long_range
xb88_lsd_eval() : xc_xbecke88
xb88_lsd_info() : xc_xbecke88
xb_interaction() : xtb_potentials
xbecke_roussel_lda_eval() : xc_xbecke_roussel
xbecke_roussel_lda_info() : xc_xbecke_roussel
xbecke_roussel_lsd_eval() : xc_xbecke_roussel
xbecke_roussel_lsd_info() : xc_xbecke_roussel
xbeef_lda_eval() : xc_xbeef
xbeef_lda_info() : xc_xbeef
xbeef_lsd_eval() : xc_xbeef
xbeef_lsd_info() : xc_xbeef
xbr_pbe_lda_hole_tc_lr_lda_eval() : xc_xbr_pbe_lda_hole_t_c_lr
xbr_pbe_lda_hole_tc_lr_lda_info() : xc_xbr_pbe_lda_hole_t_c_lr
xbr_pbe_lda_hole_tc_lr_lsd_eval() : xc_xbr_pbe_lda_hole_t_c_lr
xbr_pbe_lda_hole_tc_lr_lsd_info() : xc_xbr_pbe_lda_hole_t_c_lr
xc : ai_eri_debug, ai_overlap3_debug
xc_2nd_deriv_of_r() : xc_atom
xc_b97_3c : xc_input_constants
xc_b97_grimme : xc_input_constants
xc_b97_mardirossian : xc_input_constants
xc_b97_orig : xc_input_constants
xc_calc_2nd_deriv() : xc
xc_calc_2nd_deriv_analytical() : xc
xc_calc_2nd_deriv_numerical() : xc
xc_debug_new_routine : xc_input_constants
xc_default_f_routine : xc_input_constants
xc_deriv_collocate : xc_input_constants
xc_deriv_nn10_smooth : xc_input_constants
xc_deriv_nn50_smooth : xc_input_constants
xc_deriv_pw : xc_input_constants
xc_deriv_spline2 : xc_input_constants
xc_deriv_spline2_smooth : xc_input_constants
xc_deriv_spline3 : xc_input_constants
xc_deriv_spline3_smooth : xc_input_constants
xc_derivative_create() : xc_derivative_types
xc_derivative_get() : xc_derivative_types
xc_derivative_release() : xc_derivative_types
xc_dset_create() : xc_derivative_set_types
xc_dset_get_derivative() : xc_derivative_set_types
xc_dset_recover_pw() : xc_derivative_set_types
xc_dset_release() : xc_derivative_set_types
xc_dset_zero_all() : xc_derivative_set_types
xc_exc_calc() : xc
xc_funct_b3lyp : input_constants
xc_funct_beefvdw : input_constants
xc_funct_blyp : input_constants
xc_funct_bp : input_constants
xc_funct_hcth120 : input_constants
xc_funct_no_shortcut : input_constants
xc_funct_olyp : input_constants
xc_funct_pade : input_constants
xc_funct_pbe : input_constants
xc_funct_pbe0 : input_constants
xc_funct_tpss : input_constants
xc_funct_xwpbe : input_constants
xc_functional_get_info() : xc_derivatives
xc_functionals_eval() : xc_derivatives
xc_functionals_expand() : input_cp2k_check
xc_functionals_get_needs() : xc_derivatives
xc_kernel_method_analytic : input_constants
xc_kernel_method_best : input_constants
xc_kernel_method_numeric : input_constants
xc_none : input_constants
xc_pbe_orig : xc_input_constants
xc_pbe_rev : xc_input_constants
xc_pbe_sol : xc_input_constants
xc_pot_energy_none : input_constants
xc_pot_energy_sum_eigenvalues : input_constants
xc_pot_energy_xc_functional : input_constants
xc_pot_none : input_constants
xc_pot_saop : input_constants
xc_prep_2nd_deriv() : xc
xc_pw_divergence() : xc_util
xc_pw_gradient() : xc_util
xc_pw_smooth() : xc_util
xc_requires_tmp_g() : xc_util
xc_rho_cflags_equal() : xc_rho_cflags_types
xc_rho_cflags_setall() : xc_rho_cflags_types
xc_rho_nn10 : xc_input_constants
xc_rho_nn50 : xc_input_constants
xc_rho_no_smooth : xc_input_constants
xc_rho_set_atom_update() : xc_atom
xc_rho_set_create() : xc_rho_set_types
xc_rho_set_get() : xc_rho_set_types
xc_rho_set_recover_pw() : xc_rho_set_types
xc_rho_set_release() : xc_rho_set_types
xc_rho_set_update() : xc_rho_set_types
xc_rho_spline2_smooth : xc_input_constants
xc_rho_spline3_smooth : xc_input_constants
xc_test_lsd_f_routine : xc_input_constants
xc_uses_kinetic_energy_density() : xc
xc_uses_norm_drho() : xc
xc_vdw_fun_none : input_constants
xc_vdw_fun_nonloc : input_constants
xc_vdw_fun_pairpot : input_constants
xc_vxc_pw_create() : xc
xc_vxc_pw_create1() : xc
xc_write() : xc_write_output
xd : ai_eri_debug
xes_scf_once() : xas_tp_scf
xes_tp_val : input_constants
xgga_b88 : xc_input_constants
xgga_b88x : xc_input_constants
xgga_ev93 : xc_input_constants
xgga_eval() : xc_exchange_gga
xgga_hcth : xc_input_constants
xgga_info() : xc_exchange_gga
xgga_opt : xc_input_constants
xgga_optx : xc_input_constants
xgga_pbe : xc_input_constants
xgga_pbex : xc_input_constants
xgga_pw86 : xc_input_constants
xgga_pw91 : xc_input_constants
xgga_revpbe : xc_input_constants
xgga_tpss : xc_input_constants
xlda_hole_t_c_lr_lda_calc_0() : xc_xlda_hole_t_c_lr
xlda_hole_t_c_lr_lda_eval() : xc_xlda_hole_t_c_lr
xlda_hole_t_c_lr_lda_info() : xc_xlda_hole_t_c_lr
xlda_hole_t_c_lr_lsd_eval() : xc_xlda_hole_t_c_lr
xlda_hole_t_c_lr_lsd_info() : xc_xlda_hole_t_c_lr
xm_graph_data() : xmgrace
xm_graph_info() : xmgrace
xm_write_defaults() : xmgrace
xm_write_frame() : xmgrace
xm_write_frameport() : xmgrace
xpbe_hole_t_c_lr_lda_calc_1() : xc_xpbe_hole_t_c_lr
xpbe_hole_t_c_lr_lda_calc_2() : xc_xpbe_hole_t_c_lr
xpbe_hole_t_c_lr_lda_eval() : xc_xpbe_hole_t_c_lr
xpbe_hole_t_c_lr_lda_info() : xc_xpbe_hole_t_c_lr
xpbe_hole_t_c_lr_lsd_eval() : xc_xpbe_hole_t_c_lr
xpbe_hole_t_c_lr_lsd_info() : xc_xpbe_hole_t_c_lr
xray_diffraction_spectrum() : xray_diffraction
xsi : ai_eri_debug, ai_overlap3_debug, ai_overlap_debug
xstring() : string_utilities
xtb_coulomb_hessian() : xtb_ehess
xtb_dsint_list() : xtb_coulomb
xtb_eeq_calculation() : xtb_eeq
xtb_eeq_forces() : xtb_eeq
xtb_eeq_lagrange() : xtb_eeq
xtb_header() : header
xtb_parameters_init() : xtb_parameters
xtb_parameters_set() : xtb_parameters
xtb_pp_radius() : xtb_potentials
xtb_set_kab() : xtb_parameters
xtb_vdw_type_d3 : input_constants
xtb_vdw_type_d4 : input_constants
xtb_vdw_type_none : input_constants
xwpbe_lda_eval() : xc_xwpbe
xwpbe_lda_info() : xc_xwpbe
xwpbe_lsd_eval() : xc_xwpbe
xwpbe_lsd_info() : xc_xwpbe
xy_plane : dirichlet_bc_types
xyz_diag_colvar_id : colvar_types
xyz_outerdiag_colvar_id : colvar_types
xz_plane : dirichlet_bc_types
xz_to_yz() : fft_tools