Namespace Scine::Utils::SettingsNames

namespace SettingsNames

Variables

constexpr const char *orcaMethod = "orca_method"

constexpr const char *orcaNumProcs = "orca_nprocs"

constexpr const char *orcaBinaryPath = "orca_binary_path"

constexpr const char *orcaFilenameBase = "orca_filename_base"

constexpr const char *baseWorkingDirectory = "base_working_directory"

constexpr const char *molecularCharge = "molecular_charge"

SettingsNames provides a consistent list of settings names throughout the whole module.

constexpr const char *spinMultiplicity = "spin_multiplicity"

constexpr const char *unrestrictedCalculation = "unrestricted_calculation"

constexpr const char *selfConsistanceCriterion = "self_consistence_criterion"

constexpr const char *maxIterations = "max_scf_iterations"

constexpr const char *mixer = "scf_mixer"

constexpr const char *loggerVerbosity = "log"

constexpr const char *NDDODipoleApproximation = "nddo_dipole"

constexpr const char *parameterFile = "parameter_file"

constexpr const char *parameterRootDirectory = "parameter_root"

struct SCFMixers

#include <SettingsNames.h>

Struct to contain the name of the mixers available.

struct LogLevels

#include <SettingsNames.h>

Struct to contain the name of the level of verbosity for the logger.