Parameters.h File Reference

#include "BaseStructures.h"
#include <cstdio>
#include <limits>
#include <string>
#include <vector>

Go to the source code of this file.

Classes
class	eonc::Parameters
struct	eonc::Parameters::constants_t
struct	eonc::Parameters::main_options_t
struct	eonc::Parameters::potential_options_t
struct	eonc::Parameters::ams_options_t
struct	eonc::Parameters::ams_options_t::env_t
struct	eonc::Parameters::xtb_options_t
struct	eonc::Parameters::zbl_options_t
struct	eonc::Parameters::socket_nwchem_options_t
struct	eonc::Parameters::rgpot_options_t
struct	eonc::Parameters::structure_comparison_options_t
struct	eonc::Parameters::process_search_options_t
struct	eonc::Parameters::saddle_search_options_t
struct	eonc::Parameters::saddle_search_options_t::dynamics_t
struct	eonc::Parameters::saddle_search_options_t::confine_positive_t
struct	eonc::Parameters::optimizer_options_t
struct	eonc::Parameters::optimizer_options_t::refine_t
struct	eonc::Parameters::optimizer_options_t::lbfgs_t
struct	eonc::Parameters::optimizer_options_t::cg_t
struct	eonc::Parameters::optimizer_options_t::quickmin_t
struct	eonc::Parameters::optimizer_options_t::sd_t
struct	eonc::Parameters::dimer_options_t
struct	eonc::Parameters::gpr_dimer_options_t
struct	eonc::Parameters::gpr_dimer_options_t::gpr_params_t
struct	eonc::Parameters::gpr_dimer_options_t::opt_params_t
struct	eonc::Parameters::gpr_dimer_options_t::prune_params_t
struct	eonc::Parameters::gpr_dimer_options_t::debug_params_t
struct	eonc::Parameters::gp_surrogate_options_t
struct	eonc::Parameters::catlearn_options_t
struct	eonc::Parameters::ase_orca_options_t
struct	eonc::Parameters::ase_nwchem_options_t
struct	eonc::Parameters::metatomic_options_t
struct	eonc::Parameters::metatomic_options_t::variants_t
struct	eonc::Parameters::lanczos_options_t
struct	eonc::Parameters::davidson_options_t
struct	eonc::Parameters::prefactor_options_t
struct	eonc::Parameters::hessian_options_t
struct	eonc::Parameters::neb_options_t
struct	eonc::Parameters::neb_options_t::mmf_peak_options_t
struct	eonc::Parameters::neb_options_t::spring_options_t
struct	eonc::Parameters::neb_options_t::spring_options_t::energy_weighting_t
struct	eonc::Parameters::neb_options_t::spring_options_t::onsager_machlup_t
struct	eonc::Parameters::neb_options_t::climbing_image_options_t
struct	eonc::Parameters::neb_options_t::climbing_image_options_t::hybrid_dimer_t
struct	eonc::Parameters::neb_options_t::path_initialization_t
struct	eonc::Parameters::neb_options_t::endpoint_options_t
struct	eonc::Parameters::dynamics_options_t
struct	eonc::Parameters::parallel_replica_options_t
struct	eonc::Parameters::tad_options_t
struct	eonc::Parameters::thermostat_options_t
struct	eonc::Parameters::replica_exchange_options_t
struct	eonc::Parameters::hyperdynamics_options_t
struct	eonc::Parameters::basin_hopping_options_t
struct	eonc::Parameters::global_optimization_options_t
struct	eonc::Parameters::monte_carlo_options_t
struct	eonc::Parameters::bgsd_options_t
struct	eonc::Parameters::serve_options_t
struct	eonc::Parameters::artn_options_t
struct	eonc::Parameters::ira_options_t
struct	eonc::Parameters::debug_options_t
struct	eonc::Parameters::oh_tst_options_t
class	Parameters

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