Change to a directory of your choice (preferably empty) and type
cp atat/examples/cuau.in lat.in |
maps -d &
|
Maps is running and waiting for a signal. Type
to indicate that you are ready to for maps to generate a structure.
Maps replies Finding best structure... To find the structure just created,
wait for done to appear and type:
to observe that directory 0 has been created.
This directory contains a file str.out which
describes the structure whose energy needs to be calculated.
The file wait is just a flag that allows you to find the newly created directory.
Let's pretend that we have computed the energy of that structure.
We need to let maps know about it. Type, for instance:
echo 1.1 > 0/energy (If 1.1 is the energy of the structure.) |
rm 0/wait
|
Maps responds by Finding best cluster expansion..., followed by done.
You can repeat the process (touch ready, etc.) to add more structures.
Maps will update the current cluster expansion every time a new energy becomes known.
(By default, maps checks every 10 sec.).
For a description of the output files, type:
or refer to section 7
A nice utility called mapsrep allows you to plot the results using gnuplot.
To stop maps cleanly, type:
touch stop
Suggestion: to clarify the output of the program, it is recommended that you run maps in one terminal window
and type all other command in another terminal window.
[email protected] Wed, Dec 6, 2023 12:55:16 PM