File util.h

Header for mathematical and utility functions.

Definition (util.h)

Detailed Description

Le Nhan Pham

2025

This header file declares various mathematical utility functions including matrix operations, file parsing utilities, sorting algorithms, and string manipulation functions used throughout the Namespace OpenThermo program.

Includes

• array

• chemsys.h (File chemsys.h)

• cstdint

• fstream

• iostream

• string

• vector

Namespaces

• Namespace util

Enums

• Enum QuantumChemistryProgram

Functions

• Function util::create_default_settings_file

• Function util::deterprog

• Function util::diagmat

• Function util::get_option_str

• Function util::loadarguments

• Function util::loadsettings

• Function util::loclabel

• Function util::matmul

• Function util::modmass

• Function util::outotmfile

• Function util::transpose