Index of /soft/bacuy

Evgenii B. Rudnyi

 Name                    Last modified       Size  

 Parent Directory        25-Mar-2009 15:34      -  
 donlp2/                 25-Mar-2009 15:34      -  
 COPYING                 03-Jan-2005 21:36    18k  
 FREE_LICENSE            03-Jan-2005 21:36     1k  
 bacuy.h                 03-Jan-2005 21:39     1k  
 bacuy_dp.cpp            03-Jan-2005 21:41     8k  
 bacuy_eq.cpp            03-Jan-2005 21:41    15k  
 bacuy_lp.cpp            03-Jan-2005 21:41     9k  
 bacuy_td.cpp            03-Jan-2005 21:41    11k  
 makefile                03-Jan-2005 21:44     1k  
 paper.bat               03-Jan-2005 19:20     1k  
 readme.txt              28-Oct-1995 22:00    10k

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.