Changes between Version 4 and Version 5 of SpaceGroupInterpreter


Ignore:
Timestamp:
Apr 29, 2010 10:15:34 PM (12 years ago)
Author:
toby
Comment:

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  • SpaceGroupInterpreter

    v4 v5  
    1111
    1212 * [https://subversion.xor.aps.anl.gov/pyGSAS/trunk/GSASIIspc.py GSASIIspc.py]: The top-level space group routines
    13  * [https://subversion.xor.aps.anl.gov/pyGSAS/trunk/pypowder.for pypowder.for]: The Fortran interface to the GSAS library
    14  * [https://subversion.xor.aps.anl.gov/pyGSAS/trunk/tests/testGSASIIspc.py tests/testGSASIIspc.py]: Unit tests for GSASIIspc.py
    15  * [https://subversion.xor.aps.anl.gov/pyGSAS/trunk/tests/SGdat.py tests/SGdat.py] and [https://subversion.xor.aps.anl.gov/pyGSAS/trunk/tests/sgtbxdat.py tests/sgtbxdat.py]: input required in the unit tests (created using [https://subversion.xor.aps.anl.gov/pyGSAS/trunk/tests/genselftest.py tests/genselftest.py] and [https://subversion.xor.aps.anl.gov/pyGSAS/trunk/tests/gensgtbx.py tests/gensgtbx.py].
    16 In addition, a small number of files from the GSAS library are used. These can be provided on request.
     13 * [https://subversion.xor.aps.anl.gov/pyGSAS/trunk/pyspg.for pyspg.for]: The Fortran interface code to the GSAS library
     14 * [https://subversion.xor.aps.anl.gov/pyGSAS/trunk/spsubs/ spsubs/]: space group subroutines from GSAS needed by pyspg.for
     15 * [https://subversion.xor.aps.anl.gov/pyGSAS/trunk/testinp/ testinp/]: files used for running unit tests on GSASIIspc.py ([https://subversion.xor.aps.anl.gov/pyGSAS/trunk/testinp/sgtbxtestinp.py sgtbxtestinp.py] and [https://subversion.xor.aps.anl.gov/pyGSAS/trunk/testinp/spctestinp.py spctestinp.py]). The contents of these files are created using [https://subversion.xor.aps.anl.gov/pyGSAS/trunk/testinp/gensgtbx.py gensgtbx.py] and [https://subversion.xor.aps.anl.gov/pyGSAS/trunk/testinp/genselftest.py genselftest.py].
     16 * [https://subversion.xor.aps.anl.gov/pyGSAS/trunk/Makefile Makefile]: an input file used in GNU make to compile and link pyspg.for. Editing is required to select the platform to use.
     17
     18=== Unit Tests ===
     19
     20Unit tests are provided that check that the output from SpcGroup and SpaceGroup are identical across platforms for all 230 space groups and
     21
     22=== Compiling and linking pyspg.for ===