Namespace HighLevelEnergyUtils

Utility functions supporting high-level energy calculations.

Detailed Description

The Namespace HighLevelEnergyUtils namespace provides a comprehensive collection of utility functions that support high-level energy calculations including file operations, energy parsing, unit conversions, and data validation.

Functions

• Function HighLevelEnergyUtils::extract_frequencies

• Function HighLevelEnergyUtils::find_lowest_frequency

• Function HighLevelEnergyUtils::get_current_directory_name

• Function HighLevelEnergyUtils::hartree_to_ev

• Function HighLevelEnergyUtils::hartree_to_kj_mol

• Function HighLevelEnergyUtils::is_valid_high_level_directory()

• Function HighLevelEnergyUtils::is_valid_high_level_directory()

• Function HighLevelEnergyUtils::parse_energy_value

• Function HighLevelEnergyUtils::validate_concentration

• Function HighLevelEnergyUtils::validate_energy_data

• Function HighLevelEnergyUtils::validate_temperature