RMCA for Windows 95

Download rmcaw95.zip (233Ko)
containing a MS Windows 95 executable of the RMCA software
and some complementary programs (random, moveout, crystal)
The package contains (once unzipped by Winzip) :
The fortran codes were translated into C codes by the f2c software and then compiled by MSVC++ 2.0.
The resulting executable (158Ko) is reasonably fast as can be judged from the approximate times necessary for generating 100000 moves for the test file (with 1000 Cu atoms) :
       Machine      Pentium 100Mhz   Pentium II 266Mhz   Pentium II 333Mhz
       Ram               16Mo               64Mo               64Mo       
       Time              36mn               9mn               7mn20sec
For comparison with those PC machines, running the test file on a DEC ALPHA AXP 4200 needs 18mn. 
Getting Started
The PC RMCA program starts by a double click on its name in the Windows Explorer (or typing 'rmca' in a DOS box opened in the directory containing rmca.exe and the data files). A window is opened. You are prompted to give the entry filename (here cubig, the test file) :
There are two differences with the original RMCA software. The .his file is not created, and the timelim and timesav parameters have different significations. Instead of being the time the program should run for, in minutes, timelim is now the total number of moves generated before the program will stop. Timesav is the interval number or generated moves at which the results should be saved to the output file. Also the file containing the experimental data (cusq.dat here) is given without the .dat extension in the main data file (cubig.dat here).
Get the manual RMCA.ps and the Fortran source code at the RMCA FTP server.
Running the test file, you should see at the end (the Chi**2 oscillates around 5 after 15000 accepted moves) :
The resulting fit of S(Q) is the following :
How to use Random :
How to use Moveout (T=True, F=False) :
How to use Crystal in "automatic mode":

Copyright © October 1997 - Armel Le Bail
See also the GLASSVIR and NOCHAOS related programs and an application to fluoride glasses