# -*- coding: utf-8 -*-
# file: constants.py

# This code is part of Onça-pintada.
# MIT License
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# Copyright (c) 2026 Leandro Seixas Rocha <leandro.rocha@ilum.cnpem.br> 
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kJmol = 96.485364                      # Conversion factor from eV/atom to kJ/mol (1 eV/atom = 96.485364 kJ/mol)
R = 8.31446261815324 / 1000            # Universal gas constant in kJ/(mol*K)
kB = 8.617333262145e-5                 # Boltzmann constant in eV/K
h = 4.135667696e-3                     # eV/THz
cm_to_THz = 0.0299792458               # 1/cm to THz
eV_to_THz = 1 / h                      # eV to THz