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Programs for applying symmetries

Thomas Wolf
1995 Proceedings of the 1995 international symposium on Symbolic and algebraic computation - ISSAC '95  
The program DETRAFO performs arbitrary point-and contact transformations of ODEs / PDEs and is applied if similarity and symmetry variables have been found.  ...  The program APPLYSYM is used in connection with the program LIEPDE for formulating and solving the conditions for point-and contact symmetries which is described in [4] .  ...  The novelty described in this paper are programs aiming at the final third step: Applying symmetries for • calculating similarity variables to perform a point transformation which lowers the order of an  ... 
doi:10.1145/220346.220348 dblp:conf/issac/Wolf95 fatcat:pep3g2llq5g23h5rbd36hhccmi

TREOR, a semi-exhaustive trial-and-error powder indexing program for all symmetries

P. E. Werner, L. Eriksson, M. Westdahl
1985 Journal of Applied Crystallography  
The over-all success rate of the program has been found to be better than 90%, and considerably more for orthorhombic and higher symmetries.  ...  The program contains separate routines for cubic, tetragonal, hexagonal, orthorhombic, monoclinic and triclinic symmetries. Ten years usage has been analysed to improve the original program.  ...  Kierkegaard for his kind interest in this work. This work has received financial support from the Swedish Natural Science Research Council.  ... 
doi:10.1107/s0021889885010512 fatcat:mt2mbaivmvcexesv4oetzknzjm

Introduction to crystallography: two-dimensional computer simulations

B. D. Hall, T. Stoto
1998 Journal of Applied Crystallography  
The program will generate and display direct and reciprocal lattices, based on arbitrary user input, and is able to apply the symmetry operations of any of the 17 twodimensional plane groups to a user-defined  ...  A computer simulation program for two-dimensional crystallography has been developed for use in teaching at an introductory level.  ...  Both structures were generated in the program from a two-atom motif to which the symmetry operations of the particular space groups were then applied.  ... 
doi:10.1107/s0021889897010546 fatcat:322yhvcedjfnheo6dydpgvc5cy

SYMMODES: a software package for group-theoretical analysis of structural phase transitions

Cesar Capillas, Eli Kroumova, Mois I. Aroyo, J. Manuel Perez-Mato, Harold T. Stokes, Dorian M. Hatch
2003 Journal of Applied Crystallography  
This work has been supported by MCYT-Spain (HA2000-020) and DAAD-Germany (314/AI-e-dr) within the program`Acciones Inte-gradas Hispano-Alemanas', and by UPV (Project No. 00063.310-13564).  ...  Modules, used for extracting data from CIF ®les, are written in Perl. No overlay structure has been applied.  ...  (ii) For a given symmetry break G 3 H j and a crystal structure speci®ed by the Wyckoff positions of the occupied atomic orbits, the program calculates (a) the number and the patterns of the primary and  ... 
doi:10.1107/s0021889803003212 fatcat:cdgxrxvpb5fg5azlav3s3aesuu

Generation of molecular symmetry orbitals for the point and double groups

K. Rykhlinskaya, S. Fritzsche
2005 Computer Physics Communications  
Symmetry-adapted molecular basis functions are widely applied for the electronic structure computations of molecules and clusters.  ...  Unusual features of the program: All commands of the BETHE program are available for interactive work.  ...  Tomohiko Ishii for helpful collaboration. This work has been supported the University of Kassel and the German Research Council under the contract FR 1251/8-1:2.  ... 
doi:10.1016/j.cpc.2005.03.112 fatcat:o63loi3ytjh5jbo6a4jeinke74

Affordance and Symmetry [chapter]

Harold Thimbleby
2001 Lecture Notes in Computer Science  
This paper shows how useful it is to consider affordance as generated by a correspondence between program symmetries and user interface symmetries.  ...  Symmetries in state spaces (for instance, as might be visualised in statecharts) can be carried through to user interfaces and into user manuals, with beneficial results.  ...  easier concept to apply than program symmetry without constraint.  ... 
doi:10.1007/3-540-45522-1_12 fatcat:momg4b2v4zcixe4idbrt4euore

Automatic Symmetry Detection for Model Checking Using Computational Group Theory [chapter]

A. F. Donaldson, A. Miller
2005 Lecture Notes in Computer Science  
This group can then be used for symmetry reduction during model checking using existing quotient-based methods.  ...  We present an automatic technique for the detection of structural symmetry in a model directly from its Promela specification.  ...  Acknowledgments The authors would like to thank Simon Gay, Warwick Harvey and Colva Roney-Dougal for their useful comments on this work.  ... 
doi:10.1007/11526841_32 fatcat:vytl422rrfcapc3v5paairw7d4

Replication and Abstraction: Symmetry in Automated Formal Verification

Thomas Wahl, Alastair Donaldson
2010 Symmetry  
to large-scale program verification.  ...  This article surveys fundamental and applied aspects of symmetry in system models, and of symmetry reduction methods used to counter state explosion in model checking, an automated formal verification  ...  The authors would like to thank David Parker for his comments on symmetry reduction in PRISM.  ... 
doi:10.3390/sym2020799 fatcat:q4mcwtywq5bgla4e5u4dfu6iii

Reflections on symmetry

Harold Thimbleby
2002 Proceedings of the Working Conference on Advanced Visual Interfaces - AVI '02  
Recommendations for programming better user interfaces are suggested.  ...  This deeper application of symmetry for user interface design is related to affordance, and therefore makes that concept constructively applicable.  ...  In the program, the symmetry is that changing button does not change the code applied.  ... 
doi:10.1145/1556262.1556265 dblp:conf/avi/Thimbleby02 fatcat:lu5a4if7bfgxzn7trin5j5kqea

Help for checking space-group symmetry

M. Nardelli
1996 Journal of Applied Crystallography  
for lost symmetries.  ...  Ten examples of crystal structures, taken from a paper by Marsh & Bernal [Acta Cryst. (1995), B51, 300–307], are considered to show how the PARST program works when it compares atomic sets in the search  ...  In Table 1 , the relevant data are summarized showing the indications the program gives for the possible symmetry elements.  ... 
doi:10.1107/s0021889896000672 fatcat:zoroohqkejb7vcthuhe3tbrcam

Programs for translation searches with two independent models simultaneously

A. G. Urzhumtsev, A. D. Podjarny
1994 Journal of Applied Crystallography  
Programs to carry out translation searches for the molecular replacement method using two independent models simultaneously have been developed.  ...  Thierry for discussions and their continuous interest in the work. They are also grateful to Dr B. Rees for discussions during the work and his careful reading and improvement of the manuscript.  ...  The program may also be applied to a single distribution.  ... 
doi:10.1107/s0021889893005849 fatcat:qjo6d5ri6vflja6yfxmzrfmrky

Symmetry Reduction for Probabilistic Model Checking Using Generic Representatives [chapter]

Alastair F. Donaldson, Alice Miller
2006 Lecture Notes in Computer Science  
Model checking results for the original program can then be inferred by applying PRISM, unchanged, to the smaller model underlying the reduced program.  ...  Generic representatives have been proposed for the effective combination of symmetry reduction and symbolic representation with BDDs in non-probabilistic model checking.  ...  Acknowledgements The authors would like to thank Douglas Graham for many useful discussions relating to this work, and Dave Parker for providing an advance copy of [20] .  ... 
doi:10.1007/11901914_4 fatcat:jpkmim555vggdnygdjeu4nxmsu

SYMMOL: a program to find the maximum symmetry group in an atom cluster, given a prefixed tolerance

T. Pilati, A. Forni
1998 Journal of Applied Crystallography  
SYMMOL is a new stand-alone program to find the maximum symmetry compatible with a given tolerance. The input requirements are cell parameters, atomic coordinates and the tolerance.  ...  Some parameters quantifying the deviation from the exact symmetry are also calculated.  ...  We also thank Professor Angeio Sironi for fruitful discussions and suggestions.  ... 
doi:10.1107/s0021889898002180 fatcat:foaow7yn2fgnlhlykte2f7eys4

The site-symmetry induced representations of layer groups on the Bilbao Crystallographic Server

Gemma de la Flor, Danel Orobengoa, Robert A. Evarestov, Yuri E. Kitaev, Emre Tasci, Mois I. Aroyo
2019 Journal of Applied Crystallography  
This new program, based on the site-symmetry approach, establishes the symmetry relations between localized and extended crystal states using representations of layer groups.  ...  The section of the Bilbao Crystallographic Server (http://www.cryst.ehu.es) dedicated to subperiodic groups includes a new tool called LSITESYM for the study of materials with layer and multilayer symmetry  ...  (ii) The site-symmetry method for space groups is applied, i.e. the site-symmetry induced representations are calculated by the program SITESYM.  ... 
doi:10.1107/s1600576719011725 pmid:31636523 pmcid:PMC6782082 fatcat:hndp3x4ycfalfgb6srwo6svotm

New computer program to calculate the symmetry of molecules

Ali Ashrafi, Mohammad Ahmadi
2005 Open Chemistry  
AbstractIn this paper we, present some MATLAB and GAP programs and use them to find the automorphism group of the Euclidean graph of the C80 fullerence with connectivity and geometry of Ih symmetry point  ...  We now apply our MATLAB program to find a solution matrix for this group. After running this program, we can see that G has order 120.  ...  We applied our programs for computing the symmetries of all molecules in Fullerene Gallery presented by Mitsuho Yoshida (for details see the web address http://www.cochem2.tutkie.tut.ac.jp/ Fuller/higher  ... 
doi:10.2478/bf02475193 fatcat:rrleoitt5nabpenpxiwp4f2hfe
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