Source code for calphy
"""
calphy: a Python library and command line interface for automated free
energy calculations.
Copyright 2021-2026 (c) Sarath Menon, Yury Lysogorskiy, Ralf Drautz
Interdisciplinary Centre for Advanced Materials Simulation (ICAMS),
Ruhr University Bochum, 44801 Bochum, Germany
calphy is published and distributed under the Academic Software Licence v1.0 (ASL).
calphy is distributed in the hope that it will be useful for non-commercial academic
research, but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the LICENSE file for details.
The ASL permits academic non-commercial use only. Contact
sarath.menon@ruhr-uni-bochum.de to enquire about commercial use rights.
More information about the program can be found in:
Menon, Sarath, Yury Lysogorskiy, Jutta Rogal, and Ralf Drautz.
"Automated Free Energy Calculation from Atomistic Simulations." Physical Review Materials 5(10), 2021
DOI: 10.1103/PhysRevMaterials.5.103801
For more information contact:
sarath.menon@ruhr-uni-bochum.de
"""
from calphy.input import Calculation
from calphy.liquid import Liquid
from calphy.solid import Solid
from calphy.alchemy import Alchemy
from calphy.routines import MeltingTemp
__version__ = "2.1.2"