#FORCE 20 FORTRAN DOWNLOAD SOFTWARE#
#FORCE 20 FORTRAN DOWNLOAD CODE#
#FORCE 20 FORTRAN DOWNLOAD PASSWORD#

If you are a new user or if your password expired, please supply Title (Prof., Dr., Mr., Mrs.),ДЇirst and Last name, Institution etc, and Email address. A number of inputДЄnd output files are included in the fullerenev4.5.zip file and a more detailed descriptionДownload for Manual: UserManualv4.5.pdf () (3.0 MB) The program is written in standard Fortran and C++ and has been checkedДЇor a large number of fullerenes up to 35,000 vertices. Just fine on a PC or Mac running LINUX/UNIX. You need to use the Makefile included in fullerene.zip. The program has been tested for the gnu compiler collection (gfortran and g++). Note that the program is currently not being further developed due to the lack financial support, even though many good ideas have been put forward to extend it to general polyhedra and to add a gui. 35, 515-526 (1995).ДЇor further literature see the User's Manual. Babic, 'Nomenclature and Coding of Fullerenes', J.

#FORCE 20 FORTRAN DOWNLOAD CODE#

The Hamiltonian cycle part of the program uses the code by Babic:Д¤) D. Avery, 'The Topology of Fullerenes', Wiley Interdisciplinary Reviews (WIRE): Computational Molecular Science 5, 96-145 (2015). Manolopoulos, 'An Atlas of Fullerenes'ДЈ) P. We also recommend to cite the following book (many of the concepts used can be found here):Дў) P. Structures of Regular Fullerenes', Version 4.4, J.

#FORCE 20 FORTRAN DOWNLOAD SOFTWARE#

Avery, 'Program Fullerene - A Software Package for Constructing and Analyzing Please cite the following paper if you use this program for publishing data:ДЎ) P. This is an open-source code and free for distribution (except for commercial purposes). Has been brought into a more compact form and extended up to C 150, and up to C 200 for IPR isomers, Tight lower and upper bounds for Hamiltonian cycles, and a neighbourhood spiral ring search algorithm. Of any fullerene, access to both the Yoshida and House of GraphsДatabases, an improved Tutte embedder, a correct ring spiral count, a generalized ring spiral algorithm with jumps, Vibrational frequencies (although the force constants have not been adjusted yet), general Goldberg-Coxeter transformations Version 4.5 is more robust than previous versions,ДЄnd contains a more extended evaluation of topological indicators, a harmonic oscillator force field including dihedral angles, Linked to the original Fortran program using much improved algorithms. Version 4 incorporated C++ routines for the first time Schlegel diagrams and 3D structures), and serves asДЄ starting point for further quantum theoretical treatment. The results can be used for plotting 2D/3D fullerene graphs (e.g. The program generates cartesian/internal coordinates for fullerene isomers and performs a topological/graph theoretical analysis.

The New Zealand Institute for Advanced StudyД 745 Auckland, New Zealand (Middle Earth) At Massey University (Albany Campus), New ZealandДЄ Fortran/C++ Program for Creating Fullerene StructuresД«y Peter Schwerdtfeger, Lukas Wirz and James AveryД¬entre for Theoretical Chemistry and Physics

Force 20 fortran download