ParametersOptions.h File Reference

#include "BaseStructures.h"
#include "StructureComparisonOptions.h"
#include <cstdint>
#include <limits>
#include <string>
#include <vector>

Go to the source code of this file.

Classes
struct	eonc::constants_t
struct	eonc::main_options_t
struct	eonc::potential_options_t
struct	eonc::ams_options_t
struct	eonc::ams_options_t::env_t
struct	eonc::xtb_options_t
struct	eonc::zbl_options_t
struct	eonc::dftd_options_t
struct	eonc::expr_options_t
struct	eonc::mopac_options_t
struct	eonc::socket_nwchem_options_t
struct	eonc::rgpot_options_t
struct	eonc::process_search_options_t
struct	eonc::saddle_search_options_t
struct	eonc::saddle_search_options_t::dynamics_t
struct	eonc::saddle_search_options_t::confine_positive_t
struct	eonc::optimizer_options_t
struct	eonc::optimizer_options_t::xtsci_t
struct	eonc::optimizer_options_t::refine_t
struct	eonc::optimizer_options_t::lbfgs_t
struct	eonc::optimizer_options_t::cg_t
struct	eonc::optimizer_options_t::quickmin_t
struct	eonc::optimizer_options_t::sd_t
struct	eonc::dimer_options_t
struct	eonc::gpr_dimer_options_t
struct	eonc::gpr_dimer_options_t::gpr_params_t
struct	eonc::gpr_dimer_options_t::opt_params_t
struct	eonc::gpr_dimer_options_t::prune_params_t
struct	eonc::gpr_dimer_options_t::debug_params_t
struct	eonc::gp_surrogate_options_t
struct	eonc::catlearn_options_t
struct	eonc::ase_orca_options_t
struct	eonc::ase_nwchem_options_t
struct	eonc::metatomic_options_t
struct	eonc::metatomic_options_t::variants_t
struct	eonc::lanczos_options_t
struct	eonc::davidson_options_t
struct	eonc::prefactor_options_t
struct	eonc::hessian_options_t
struct	eonc::neb_options_t
struct	eonc::neb_options_t::mmf_peak_options_t
struct	eonc::neb_options_t::spring_options_t
struct	eonc::neb_options_t::spring_options_t::energy_weighting_t
struct	eonc::neb_options_t::spring_options_t::onsager_machlup_t
struct	eonc::neb_options_t::climbing_image_options_t
struct	eonc::neb_options_t::climbing_image_options_t::hybrid_dimer_t
struct	eonc::neb_options_t::zoom_options_t
	Zoom-NEB packs every image onto a window around the climbing image once that image is stable and the band force is below activation_threshold. More...
struct	eonc::neb_options_t::path_initialization_t
struct	eonc::neb_options_t::endpoint_options_t
struct	eonc::neb_options_t::solid_state_options_t
	Interior images relax a lower-triangular cell with the atoms. More...
struct	eonc::dynamics_options_t
struct	eonc::parallel_replica_options_t
struct	eonc::tad_options_t
struct	eonc::thermostat_options_t
struct	eonc::replica_exchange_options_t
struct	eonc::hyperdynamics_options_t
struct	eonc::basin_hopping_options_t
struct	eonc::global_optimization_options_t
struct	eonc::monte_carlo_options_t
struct	eonc::bgsd_options_t
struct	eonc::serve_options_t
struct	eonc::artn_options_t
struct	eonc::ira_options_t
struct	eonc::debug_options_t
struct	eonc::instanton_options_t
struct	eonc::oh_tst_options_t

Namespaces
namespace	eonc
	RAII resource manager for the ARTn C library with global synchronization.

Typedefs
using	eonc::structure_comparison_options_t = StructureComparisonOptions