RMCA for Windows 95
containing a MS Windows 95 executable
of the RMCA
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.
rmca.exe the executable (32 bits for Windows 95 and possibly
NT - not for 16 bits Win 3 or DOS).
cubig.dat a test file.
cubig.cfg the starting configuration for the test file (with
1000 atoms instead of the original 250).
cusq.dat the interference function for the test file (Cu).
random.exe the win95 executable for building a random initial
moveout.exe moves atoms in a configuration apart if they are
too close together.
crystal.exe produces a crystalline configuration.
coord.dat a test file for crystal in "automatic" mode.
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.
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
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