Index

A

artn (C++ function) (class in pypARTn), [1], [2] artn2creator (C++ function) artn_api (C++ type), [1] artn_api::artn_extract (C++ class), [1], [2] artn_api::artn_set (C++ class), [1], [2] artn_c_wrappers (C++ type) artn_c_wrappers::artn_c (C++ function) artn_c_wrappers::artn_cfree (C++ function) artn_c_wrappers::cartn_list_extract (C++ function) artn_c_wrappers::cartn_list_extract_param (C++ function) artn_c_wrappers::cartn_list_set (C++ function) artn_c_wrappers::cclean_artn (C++ function) artn_c_wrappers::cdump_data (C++ function) artn_c_wrappers::cdump_input (C++ function) artn_c_wrappers::move_mode_c (C++ function) artn_c_wrappers::permute_int1d_c (C++ function)

artn_c_wrappers::permute_real2d_c (C++ function) artn_c_wrappers::setup_artn2c (C++ function) artn_c_wrappers::unpermute_int1d_c (C++ function) artn_c_wrappers::unpermute_real2d_c (C++ function) artn_create (C++ function) artn_cstep (C++ function) artn_destroy (C++ function) artn_get_drank (C++ function) artn_get_dsize (C++ function) artn_get_dtype (C++ function) artn_get_dtype_str (C++ function) artn_get_dtype_val (C++ function) artn_gitinfo (C++ function) artn_merr (C++ function) artn_qe (C++ function) artn_step (C++ function) artn_step_reset (C++ function) artn_version_semantic (C++ function)

C

called_from (C++ member)

clean_artn (C++ function) current_disp_code (C++ member)

D

d_artn_data (C++ type) d_artn_data::artn_list_extract (C++ class) d_artn_data::destroy_data (C++ function) d_artn_data::get_data (C++ class), [1] d_artn_data::has_error (C++ member) d_artn_data::has_min1 (C++ member) d_artn_data::has_min2 (C++ member) d_artn_data::has_sad (C++ member) d_artn_data::natoms (C++ member) d_artn_data::nevalf (C++ member) d_artn_data::nevalf_min1 (C++ member) d_artn_data::nevalf_min2 (C++ member) d_artn_data::nevalf_sad (C++ member) d_artn_data::save_step_data (C++ class) d_artn_data::set_data (C++ class), [1] d_artn_params (C++ type) d_artn_params::called_from (C++ member) d_artn_params::check_d_artn_params (C++ class) d_artn_params::current_disp_code (C++ member) d_artn_params::fill_param_step (C++ class) d_artn_params::fpush_factor (C++ member) d_artn_params::get_param (C++ class), [1] d_artn_params::get_runparam (C++ class), [1] d_artn_params::iartn (C++ member) d_artn_params::ieigen (C++ member) d_artn_params::ifails (C++ member) d_artn_params::ifound (C++ member) d_artn_params::iinit (C++ member) d_artn_params::in_lanczos_at_min (C++ member) d_artn_params::inewchance (C++ member) d_artn_params::iover (C++ member) d_artn_params::iperp (C++ member) d_artn_params::irelax (C++ member) d_artn_params::isearch (C++ member) d_artn_params::ismooth (C++ member) d_artn_params::istep (C++ member)

d_artn_params::lanczos_always_random (C++ member) d_artn_params::lanczos_at_min (C++ member) d_artn_params::lanczos_max_size (C++ member) d_artn_params::lanczos_min_size (C++ member) d_artn_params::lbackward (C++ member) d_artn_params::lbasin (C++ member) d_artn_params::leigen (C++ member) d_artn_params::lend (C++ member) d_artn_params::linit (C++ member) d_artn_params::llanczos (C++ member) d_artn_params::lmove_nextmin (C++ member) d_artn_params::lnperp_limitation (C++ member) d_artn_params::lperp (C++ member) d_artn_params::lpush_final (C++ member) d_artn_params::lpush_over (C++ member) d_artn_params::lrelax (C++ member) d_artn_params::lrestart (C++ member) d_artn_params::lserialize_input (C++ member) d_artn_params::lserialize_output (C++ member) d_artn_params::luser_choose_per_atom (C++ member) d_artn_params::neigen (C++ member) d_artn_params::nevalf_max (C++ member) d_artn_params::ninit (C++ member) d_artn_params::nlanc (C++ member) d_artn_params::nmin (C++ member) d_artn_params::nnewchance (C++ member) d_artn_params::nperp (C++ member) d_artn_params::nperp_step (C++ member) d_artn_params::nrelax_print (C++ member) d_artn_params::nsaddle (C++ member) d_artn_params::nsmooth (C++ member) d_artn_params::restart_freq (C++ member) d_artn_params::set_param (C++ class), [1] d_artn_params::set_runparam (C++ class), [1] d_artn_params::verbose (C++ member) d_artn_params::zseed (C++ member) d_datainfo (C++ type)

E

err_write (C++ function)

extract() (pypARTn.artn method)

F

fire_dtype (C++ function) fire_get (C++ function) fire_init (C++ function)

fire_set (C++ function) fire_step (C++ function) FixConst (C++ type) fpush_factor (C++ member)

G

get_data (C++ function) get_data() (pypARTn.artn method)

get_error (C++ function) get_param (C++ function) get_runparam (C++ function)

H

h_artn_info (C++ type) h_artn_info::artn_cgitinfo (C++ function) h_artn_info::artn_cversion_semantic (C++ function) h_artn_precision (C++ type) h_artn_units (C++ type) h_artn_units::allocate_int1d (C++ function) h_artn_units::allocate_int2d (C++ function) h_artn_units::allocate_real1d (C++ function) h_artn_units::allocate_real2d (C++ function) h_artn_units::allocate_real3d (C++ function) h_artn_units::allocate_str1d (C++ function) h_artn_units::allocate_var (C++ class) h_artn_units::allocate_var::allocate_int1d (C++ function) h_artn_units::allocate_var::allocate_int2d (C++ function) h_artn_units::allocate_var::allocate_real1d (C++ function)

h_artn_units::allocate_var::allocate_real2d (C++ function) h_artn_units::allocate_var::allocate_real3d (C++ function) h_artn_units::allocate_var::allocate_str1d (C++ function) h_artn_units::convert_param (C++ class) h_artn_units::defined_var (C++ class) h_artn_units::is_finite (C++ class) h_artn_units::is_inf (C++ class) h_artn_units::is_nan (C++ class) h_artn_units::make_units (C++ class) h_artn_units::unconvert_param (C++ class) h_artn_units::unit_char (C++ class) has_error (C++ member) has_min1 (C++ member) has_min2 (C++ member) has_sad (C++ member)

I

iartn (C++ member) ieigen (C++ member) ifails (C++ member) ifound (C++ member) iinit (C++ member) in_lanczos_at_min (C++ member)

inewchance (C++ member) iover (C++ member) iperp (C++ member) irelax (C++ member) isearch (C++ member) ismooth (C++ member) istep (C++ member)

L

LAMMPS_NS (C++ type) LAMMPS_NS::FixARTn (C++ class) LAMMPS_NS::FixARTn::alpha (C++ member) LAMMPS_NS::FixARTn::alpha_init (C++ member) LAMMPS_NS::FixARTn::alphab (C++ member) LAMMPS_NS::FixARTn::alphashrink (C++ member) LAMMPS_NS::FixARTn::check_dmax_flag (C++ member) LAMMPS_NS::FixARTn::Check_min_params (C++ function) LAMMPS_NS::FixARTn::Collect_Arrays (C++ function) LAMMPS_NS::FixARTn::collect_name (C++ function) LAMMPS_NS::FixARTn::delaystep_start_flag (C++ member) LAMMPS_NS::FixARTn::dmax (C++ member) LAMMPS_NS::FixARTn::dt_curr (C++ member) LAMMPS_NS::FixARTn::dt_init (C++ member) LAMMPS_NS::FixARTn::dtgrow (C++ member) LAMMPS_NS::FixARTn::dtmax (C++ member) LAMMPS_NS::FixARTn::dtmin (C++ member) LAMMPS_NS::FixARTn::dtsk (C++ member) LAMMPS_NS::FixARTn::elt (C++ member) LAMMPS_NS::FixARTn::etol (C++ member) LAMMPS_NS::FixARTn::f_prev (C++ member) LAMMPS_NS::FixARTn::fire_integrator (C++ member) LAMMPS_NS::FixARTn::FixARTn (C++ function) LAMMPS_NS::FixARTn::ftol (C++ member) LAMMPS_NS::FixARTn::ftot (C++ member) LAMMPS_NS::FixARTn::if_pos (C++ member) LAMMPS_NS::FixARTn::init (C++ function) LAMMPS_NS::FixARTn::istart (C++ member) LAMMPS_NS::FixARTn::istep (C++ member) LAMMPS_NS::FixARTn::length (C++ member) LAMMPS_NS::FixARTn::me (C++ member) LAMMPS_NS::FixARTn::min_post_force (C++ function) LAMMPS_NS::FixARTn::min_setup (C++ function) LAMMPS_NS::FixARTn::modify_param (C++ function) LAMMPS_NS::FixARTn::natoms (C++ member) LAMMPS_NS::FixARTn::nextblank (C++ member) LAMMPS_NS::FixARTn::nloc (C++ member) LAMMPS_NS::FixARTn::nlresize (C++ member) LAMMPS_NS::FixARTn::nmax (C++ member) LAMMPS_NS::FixARTn::nproc (C++ member) LAMMPS_NS::FixARTn::nsteppos (C++ member) LAMMPS_NS::FixARTn::nsteppos0 (C++ member)

LAMMPS_NS::FixARTn::ntimestep_start (C++ member) LAMMPS_NS::FixARTn::nword (C++ member) LAMMPS_NS::FixARTn::oldnloc (C++ member) LAMMPS_NS::FixARTn::order (C++ member) LAMMPS_NS::FixARTn::order_tot (C++ member) LAMMPS_NS::FixARTn::pe_compute (C++ member) LAMMPS_NS::FixARTn::PERP (C++ member) LAMMPS_NS::FixARTn::post_run (C++ function) LAMMPS_NS::FixARTn::RELX (C++ member) LAMMPS_NS::FixARTn::resize_local_system (C++ function) LAMMPS_NS::FixARTn::resize_total_system (C++ function) LAMMPS_NS::FixARTn::setmask (C++ function) LAMMPS_NS::FixARTn::Spread_Arrays (C++ function) LAMMPS_NS::FixARTn::spread_name (C++ function) LAMMPS_NS::FixARTn::tmax (C++ member) LAMMPS_NS::FixARTn::tmin (C++ member) LAMMPS_NS::FixARTn::v_prev (C++ member) LAMMPS_NS::FixARTn::vtot (C++ member) LAMMPS_NS::FixARTn::word (C++ member) LAMMPS_NS::FixARTn::xtot (C++ member) LAMMPS_NS::FixARTn::~FixARTn (C++ function) lammpsplugin_init (C++ function) lanczos_always_random (C++ member) lanczos_at_min (C++ member) lanczos_max_size (C++ member) lanczos_min_size (C++ member) lbackward (C++ member) lbasin (C++ member) leigen (C++ member) lend (C++ member) linit (C++ member) llanczos (C++ member) lmove_nextmin (C++ member) lnperp_limitation (C++ member) lperp (C++ member) lpush_final (C++ member) lpush_over (C++ member) lrelax (C++ member) lrestart (C++ member) lserialize_input (C++ member) lserialize_output (C++ member) luser_choose_per_atom (C++ member)

M

m_artn (C++ type) m_artn::artn (C++ function), [1] m_artn::block_finalize (C++ class) m_artn::block_perprelax (C++ class) m_artn::block_pusheigen (C++ class) m_artn::block_pushinit (C++ class) m_artn::block_pushover (C++ class) m_artn::check_force_convergence (C++ class) m_artn::fperp_min_alignment (C++ class) m_artn::push_over_procedure (C++ class) m_artn_fire (C++ type) m_artn_fire::fire_cstep (C++ function) m_artn_fire::fire_get (C++ class) m_artn_fire::fire_set (C++ class) m_artn_fire::fire_set::fire_set_char (C++ function) m_artn_fire::fire_set::fire_set_int (C++ function) m_artn_fire::fire_set::fire_set_real (C++ function) m_artn_fire::fire_set::fire_set_realdp (C++ function) m_artn_fire::fire_set_char (C++ function) m_artn_fire::fire_set_int (C++ function) m_artn_fire::fire_set_real (C++ function) m_artn_fire::fire_set_realdp (C++ function) m_artn_option (C++ type) m_artn_option::constrained_draw (C++ class) m_artn_option::move_nextmin (C++ class) m_artn_option::nperp_limitation_init (C++ class) m_artn_option::nperp_limitation_step (C++ class) m_artn_option::read_restart (C++ class) m_artn_option::smooth_interpol (C++ class) m_artn_option::write_restart (C++ class) m_artn_report (C++ type) m_artn_report::read_struct (C++ class) m_artn_report::reset_report_params (C++ function) m_artn_report::write_artn_step_report (C++ class) m_artn_report::write_comment (C++ class) m_artn_report::write_end_report (C++ class) m_artn_report::write_fail_report (C++ class) m_artn_report::write_header_report (C++ class)

m_artn_report::write_initial_report (C++ class) m_artn_report::write_inter_report (C++ class) m_artn_report::write_report (C++ class) m_artn_report::write_struc2file (C++ class) m_artn_report::write_struct (C++ class) m_artn_step (C++ type) m_artn_step::artn_cstep (C++ function) m_artn_tools (C++ type) m_artn_tools::c_free (C++ class) m_artn_tools::c_free::c_free (C++ function) m_artn_tools::c_malloc (C++ class) m_artn_tools::center (C++ class) m_artn_tools::compute_delr_vec (C++ class) m_artn_tools::ddot (C++ class) m_artn_tools::diag (C++ class) m_artn_tools::dnrm2 (C++ class) m_artn_tools::dsum (C++ class) m_artn_tools::invmat3x3 (C++ class) m_artn_tools::is_numeric (C++ class) m_artn_tools::make_filename (C++ class) m_artn_tools::parser (C++ class) m_artn_tools::pbc (C++ class) m_artn_tools::read_line (C++ class) m_artn_tools::sum_force (C++ class) m_artn_tools::to_lower (C++ class) m_block_lanczos (C++ type) m_block_lanczos::block_lanczos (C++ class) m_block_lanczos::lanczos (C++ class) m_move_mode (C++ type) m_move_mode::move_mode (C++ function) m_setup_artn (C++ type) m_setup_artn::clean_artn (C++ class) m_setup_artn::generate_push_init (C++ class) m_setup_artn::print_caller (C++ function) m_setup_artn::reset_setup (C++ function) m_setup_artn::setup_artn (C++ function) m_setup_artn::start_guess_eigenvec (C++ class) m_setup_artn::start_guess_push (C++ class) move_mode (C++ function)

N

natoms (C++ member) neigen (C++ member) nevalf (C++ member) nevalf_max (C++ member) nevalf_min1 (C++ member) nevalf_min2 (C++ member) nevalf_sad (C++ member) next_displ() (pypARTn.artn method)

ninit (C++ member) nlanc (C++ member) nmin (C++ member) nnewchance (C++ member) nperp (C++ member) nperp_step (C++ member) nrelax_print (C++ member) nsaddle (C++ member) nsmooth (C++ member)

P

permute_int1d (C++ function)

permute_real2d (C++ function) print_caller (C++ function)

R

reset_error (C++ function)

restart_freq (C++ member)

S

set() (pypARTn.artn method) set_data (C++ function) set_param (C++ function)

set_param() (pypARTn.artn method) set_runparam (C++ function) setup_artn (C++ function) std (C++ type)

U

unpermute_int1d (C++ function)

unpermute_real2d (C++ function)

V

verbose (C++ member)

Z

zseed (C++ member)