Structure Analysis Code v 1.0
 by Wolfgang Lechner, Vienna/Amsterdam 2010-2012

 wolfgang.lechner@gmail.com



 This source code is licensed under the Academic Free License
 Copyright by Wolfgang Lechner, 2010-2012
 In addition to that I would like you to cite
 Wolfgang Lechner and Christoph Dellago, J. Chem. Phys. 129, 114707 (2008)
 and send me a short email about your project when using this code.

 NOTES ON THE INSTALLATION:
 
 Generate the executable with 
 
 make
 
 This will create a executable "main" in the base directory. There are 4 examples 
 inclued that show the basic use of the package. When executing
 
 ./main 1
 
 the parameter file "parameter.1.txt" in the input directory will be used. This 
 demonstrates an example where a configuration is read and analysed. The configuration
 that is read is "configuration.dat". For further information have a look at the
 comments in the parameter file.
 

 ./main 2 
 ./main 3
 ./main 4

 demonstrates how to create a prefect FCC,BCC or HCP crystal, respectively. For further
 information see the comments in the respective parameterfiles.
 
 The output is written to a file called "results.1.dat" in the output directory (given that 
 ./main 1 is executed). Each line consists of 9 columns: the index of the particles, 
 the 3 coordinates x,y,z, then the averaged order parameters aq4 and aq6, the bond order 
 parameters q4 and q6 followed by the number of neighbors.  
 
 In short:
 i x y z aq4 aq6 q4 q6 N_b

 The code in its current form assumes periodic boundary conditions. If you have problems 
 with open boundaries please do not hesitate to conntact me.