Changes between Version 7 and Version 8 of SpaceGroupInterpreter


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Timestamp:
Apr 30, 2010 4:45:06 PM (12 years ago)
Author:
toby
Comment:

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  • SpaceGroupInterpreter

    v7 v8  
    1 GSAS-II incorporates the unique space group interpretation code developed for GSAS by Alan Larson as a set of Python modules that wrap the GSAS Fortran code. These codes interpret the supplied space group name, rather than looking it up from tables, so it is capable of generation of operators for a very large number of non-standard space group settings. The f2py tool supplied in !SciPy integrates the Fortran code into Python quite nicely. The [https://subversion.xor.aps.anl.gov/pyGSAS/trunk/GSASIIspc.py GSASIIspc.py] is intended to be used as an independent module for programs needing space group interpretation capabilities.
     1= Space Group Interpreter =
     2
     3GSAS-II incorporates the unique space group interpretation code developed for GSAS by Alan Larson and maintained by Robert Von Dreele as a Python module that wraps the GSAS Fortran code and provides several Python functions. These codes work by interpreting the space group name, rather than looking it up from tables, so it is capable of generation of operators for a very large number of non-standard space group settings. The f2py tool supplied in !SciPy integrates the Fortran code into Python quite nicely. The [https://subversion.xor.aps.anl.gov/pyGSAS/trunk/GSASIIspc.py GSASIIspc.py] is intended to be used as an independent module for programs needing space group interpretation capabilities.
    24
    35The symmetry code includes routines: