Evgenii Rudnyi, 2005
http://Evgenii.Rudnyi.Ru/

This software is a copyrighted work licensed under the terms, described
in the file "FREE_LICENSE". 

Use at your own risk.

Program bacuy_eq: Computing Phase Diagram of Ba-Cu-Y
====================================================

The archive contains my code that I have depeloped during my work on [1] in 1995.

The goal is to compute an equilibrium composition in the Ba-Cu-Y system by usingnonlinear programming (DONLP2). File readme.txt is the manual.

Requirements:

1) Fortran IMSL routine ZX3LP for linear programming.
2) DONLP2 (Do Nonlinear Programming): http://plato.la.asu.edu/donlp2.html.

The situation with DONLP is much more difficult. My code does not work with the current version. In the directory donlp2/ you will find donlp.h that describes my interface. What I did at that time is the coversion of the DONLP Fortran code to C by f2c and then some hacking. Note that it allows, in principle, to make memory management.

The code have been written under under Borland C++ 4.0 and now I have fixed it to compile under gcc 3.3. It happened not to be too difficult. The most problem was to convert the string class that I used at that time (NCS String Library by Namir Clement Shammas) to string from the Standard Library.

Files:

readme.txt is a manual;
bacuy.h is a header;
bacuy_eq.cpp is a driver;
bacuy_td.cpp contains the Gibbs energies as well as the transformation subroutines described in the paper;
bacuy_lp.cpp contains calls to linear programming (ZX3LP);
bacuy_dp.cpp contains routines for DONLP;
paper.bat is a script with which I have made plotting for the paper.

[1] E. B. Rudnyi, G. F. Voronin. Thermodynamic assessment of the ternary Ba-Cu-Y system. Direct optimization of the miscibility gap.  CALPHAD, 1996, v. 20, N 3, p. 297-305. 

