BaseStructures.h File Reference

#include <memory>
#include <string>
#include <magic_enum/magic_enum_all.hpp>
#include <format>
#include "quill/Backend.h"
#include "quill/Frontend.h"
#include "quill/LogMacros.h"
#include "quill/Logger.h"
#include "quill/sinks/ConsoleSink.h"
#include "quill/sinks/FileSink.h"

Go to the source code of this file.

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

Enumerations
enum class	eonc::PotType {   eonc::UNKNOWN = 0 , eonc::EMT , eonc::EXT_POT , eonc::LJ ,   eonc::LJCLUSTER , eonc::MORSE_PT , eonc::CUH2 , eonc::TIP4P ,   eonc::TIP4P_PT , eonc::TIP4P_H , eonc::SPCE , eonc::EAM_AL ,   eonc::EDIP , eonc::FEHE , eonc::LENOSKY_SI , eonc::SW_SI ,   eonc::TERSOFF_SI , eonc::VASP , eonc::LAMMPS , eonc::MPI ,   eonc::AMS , eonc::AMS_IO , eonc::GPR , eonc::CatLearn ,   eonc::XTB , eonc::ASE_ORCA , eonc::ASE_POT , eonc::ASE_NWCHEM ,   eonc::METATOMIC , eonc::ZBL , eonc::SocketNWChem , eonc::RGPOT ,   eonc::DFTD3 , eonc::DFTD4 , eonc::EXPR , eonc::MOPAC }
enum class	eonc::JobType {   eonc::Unknown = 0 , eonc::Process_Search , eonc::Saddle_Search , eonc::Minimization ,   eonc::Point , eonc::Parallel_Replica , eonc::Safe_Hyperdynamics , eonc::TAD ,   eonc::Replica_Exchange , eonc::Basin_Hopping , eonc::Hessian , eonc::Finite_Difference ,   eonc::Nudged_Elastic_Band , eonc::Dynamics , eonc::Prefactor , eonc::Global_Optimization ,   eonc::Structure_Comparison , eonc::Monte_Carlo , eonc::Test , eonc::GP_Surrogate ,   eonc::OH_TST , eonc::Instanton }
enum class	eonc::OptType {   eonc::Unknown = -1 , eonc::None = 0 , eonc::QM , eonc::CG ,   eonc::LBFGS , eonc::FIRE , eonc::SD , eonc::XTSCI }
enum class	eonc::NEBInit {   eonc::LINEAR , eonc::IDPP , eonc::IDPP_COLLECTIVE , eonc::SIDPP ,   eonc::SIDPP_ZBL , eonc::FILE }
enum class	eonc::RunStatus { eonc::GOOD = 0 , eonc::FAIL_MAX_ITERATIONS , eonc::FAIL_POTENTIAL_FAILED }
enum class	eonc::DimerRotationBackend { eonc::Classical = 0 , eonc::Lanczos , eonc::Davidson , eonc::LOR }