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|             Automatic calculation and plot of phase diagram            |
|                    by Zhong-Li Liu ([email protected])                    |
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Contents in the main directory:
-----------------------------------------

 * COPYRIGHT: the license of under which PHASEGO can be distributed
 * INSTALL: installation method 
 * README: This file
 * doc: Users' Manual
 * src: The source code; please see also the file 'INSTALL'
 * examples: some typical examples


Contents in the src directory:
-----------------------------------------
+-- src:
|-- Ana_Phase_Transition.py: the module for analyzing phase transitions among different structures
|-- Anharmonicity_extract.py: the module for anharmonic effects extraction
|-- Constants.py: the module containing some physical constants and functions
|-- CVP_Gamma_BTP_CP.py: the module for calculating the C(V)_P, Gamma, B(T)_P and C(P)
|-- Debye_temp.py: the module for calculating the Debye temperature
|-- Entropy_CVV_Hugoniot.py: the module for reducing the Entropy, C(V)_V and Hugoniot PVT relations
|-- EOSfit.py: the module for EOS fitting
|-- Find_Cross_Point.py: the module for finding the cross point of two curves
|-- GetB_T_T.py: the module for calculating the B(T)_T
|-- GibbsFree_en.py: the module for reducing the Gibbs free energies
|-- Helm_free.py: the module for reducing the Helmholtz free energies
|-- Parse_ve.py: the module for reading the volume-energy data
|-- phasego: the main program of phasego package
|-- Plot_Matplotlib.py: the module for plot the phase diagram using the matplotlib library
|-- Polynomial_fit.py: the module for Polynomial curve fitting
|-- PV_T2VT_P.py: the module for transiting P(V)_T data to V(T)_P data
|-- ReadInput.py: the module for reading the controlling arguments and their values
|-- Single_phase.py: the module for single phase analysis
|-- Thermal_Expan.py: the module for calculating the thermal expansion
|-- Thermal_Pressure.py: the module for calculating the thermal pressure


Website:
-----------------------------------------
http://sourceforge.net/projects/phasego


Bugs fixing:
-----------------------------------------
Bugs and suggestions can be sent to [email protected].


Citation:
-----------------------------------------
If you find something interesting that will be published, please cite PHASEGO as,

Zhong-Li Liu, PHASEGO: A toolkit for automatic calculation and plot of phase
diagram, Computer Physics Communications 191 (2015) 150.

Zhong-Li Liu, PHASEGO 2.0: Counting full anharmonic effects from high-temperature
phonon density of states, Computer Physics Communications, 197 (2015) 341.

Zhong-Li Liu, Qian-Ku Hu, Hai-Yan Wang, Xiao-Feng Li, PHASEGO 3.0: Automatic analysis
of synthesis and decomposition conditions for compounds, Computer Physics Communications, 209 (2016) 197.