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           P R O G R A M     F U L L E R E N E

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          A PROGRAM FOR TOPOLOGICAL ANALYSIS OF FULLERENES
    The program creates cartesian coordinates for fullerenes isomers
        and performs a topological/graph theoretical analysis.
        The results can be used for plotting fullerene graphs
      (Schlegel diagrams) and 3D structures, and as a starting 
           point for further quantum theoretical treatment. 
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-->  See Manual/UserManual.pdf for input instructions and copyright message.
     Report all problems back to us (emails are provided in the user manual).

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  R U N N I N G    T H E    P R O G R A M:
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  The program is LINUX/UNIX based and works fine with gfortran and 
      gc compilers
    You need to use the Makefile included in fullerene.zip. Simply type make. 
    The executable "fullerene" runs on a mac intel as:
      ./fullerene <inp >out
    If you type      make tests      it runs all the input jobs and
      puts them into *.out
    If you type      make clean      all the object files are deleted
    If you type      make distclean  all the object files are deleted + more
    It currently compiles in a 64 bit version, but you can change to
      32 bits in the Makefile if necessary
    All fortran files are in the directory    source
    All C-files are in the directory          libgraph
    All database files are in the directory   database

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  F U L L E R E N E     I S O M E R     D A T A B A S E
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 A database is provided for general isomers up tp C150 and for IPR isomers up to
 C200. The database files need to be moved into the right folders called

 fullerene/database/All
 fullerene/database/IPR
 fullerene/database/Yoshida
 fullerene/database/HOG

 They need to be unzipped before use (gunzip). The files in the folders All and IPR
 contain the ring spiral pentagon indices. The numbering scheme is canonical as 
 chosen in the book by Fowler and Manolopoulus (Atlas of Fullerenes), that is each 
 isomer in the books appendix can be constructed easily from the database. 
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