
This directory contains sample files needed to execute the code. 
The atomic coordinates are accessed from the file `coord.d' and data 
needed to run the code is in the file `input.d'. After execution the 
code generates several output files of which `output.d' contains 
the general data. 

To compile the code use 

f77 -o main.x main.f

and use 

main.x

to execute. The sample files contain data to simulate a piece of diamond 
with periodic boundaries for 10 steps. 


