Namespace ThermoInterface

Classes

• Struct ThermoResult

• Struct ThermoSettings

Functions

• Function ThermoInterface::calculate_thermal_corrections

• Function ThermoInterface::cleanup_thermo_module

• Function ThermoInterface::create_system_data

• Function ThermoInterface::display_molecular_info

• Function ThermoInterface::extract_basic_properties

• Function ThermoInterface::identify_program

• Function ThermoInterface::initialize_thermo_module

• Function ThermoInterface::print_program_header

• Function ThermoInterface::process_batch

• Function ThermoInterface::process_file