Changes between Version 54 and Version 55 of WikiStart


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Timestamp:
Aug 17, 2018 4:45:04 PM (3 years ago)
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toby
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    v54 v55  
    22= GSAS-II Home =
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    4 GSAS-II is an open source Python project that addresses all types of crystallographic studies, from simple materials through macromolecules, using both powder and single-crystal diffraction and with both x-ray and neutron probes. Measurements can be constant wavelength or TOF (thanks to support from Oak Ridge National Lab.) GSAS-II supports everything that GSAS/EXPGUI does, except for magnetic scattering, but GSAS-II also handles all the steps in diffraction analysis, such as data reduction, peak analysis, indexing, Pawley fits, small-angle scattering fits, structure solution in addition to structure refinement. It can be used with large collections of related datasets for repeated (sequential) refinements and for parametric fitting to these results. The source code can be found at https://subversion.xray.aps.anl.gov/pyGSAS/trunk/
     4GSAS-II is an open source Python project that addresses all types of crystallographic studies, from simple materials through macromolecules, using both powder and single-crystal diffraction and with both x-ray and neutron probes. Measurements can be constant wavelength or TOF (thanks to support from Oak Ridge National Lab.) GSAS-II supports everything that GSAS/EXPGUI does, except for magnetic scattering, but GSAS-II also handles all the steps in diffraction analysis, such as data reduction, peak analysis, indexing, Pawley fits, small-angle scattering fits, structure solution in addition to structure refinement. It can be used with large collections of related datasets for repeated (sequential) refinements and for parametric fitting to these results. The source code can be found at https://subversion.xray.aps.anl.gov/pyGSAS/trunk/ and the license is [https://subversion.xray.aps.anl.gov/pyGSAS/trunk/license2013.txt here].
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    66We are updating the code quite frequently, so we may break things from time to time ([#Bugs see bug reporting, below]). Be sure to 'Update' frequently to stay abreast of new features as they are added.
     
    1616The license for use is included with the software and is [http://subversion.xray.aps.anl.gov/pyGSAS/trunk/license2013.txt found here]. Also, please sign up for the [http://www.aps.anl.gov/mailman/listinfo/GSAS-II mailing list] after installing GSAS-II.
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    18 GSAS-II and Python 3.x: We are now supporting GSAS-II with Python 3.6 and wxPython 4.0. It works but expect that some new bugs will show up so we have not made this the default (but please do test this). See [wiki:G2onPy3 Python3 notes] for more details.
     18GSAS-II and Python 3.x: We are now supporting GSAS-II with Python 3.6 & 3.7 and wxPython 4.0. It works and have tracked down most of the bugs with these versions, but this still needs more testing before we make Python 3 the  default. We do ask users to try this out. See [wiki:G2onPy3 Python3 notes] for more details.
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    2020== Please Cite ==
     
    2626== Tutorials ==
    2727
    28 To learn how to use different parts of GSAS-II, we strongly encourage running the [https://subversion.xray.aps.anl.gov/pyGSAS/trunk/help/Tutorials.html tutorials here].
     28To learn how to use different parts of GSAS-II, we strongly encourage running the [https://subversion.xray.aps.anl.gov/pyGSAS/trunk/help/Tutorials.html tutorials here]. Note new addition of many video-tutorials so you can see the computer screen as the tutorial is being run.
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    3030For background material on powder diffraction crystallography, see the links on our [https://www1.aps.anl.gov/Education/Powder-Diffraction-Educational-Materials Powder Diffraction Crystallography Educational Materials] page.
     
    3636  * [https://subversion.xray.aps.anl.gov/pyGSAS/trunk/help/gsasII.html Help file: (https://subversion.xray.aps.anl.gov/pyGSAS/trunk/help/gsasII.html)]. This is not always complete, but does provide some information on different sections of the program.
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    38   * [https://subversion.xray.aps.anl.gov/pyGSAS/trunk/help/gsasII.html#Tutorials Tutorials: (https://subversion.xray.aps.anl.gov/pyGSAS/trunk/help/gsasII.html#Tutorials])]. This is the best place to start with GSAS-II.
     38  * [https://subversion.xray.aps.anl.gov/pyGSAS/trunk/help/Tutorials.html Tutorials: (https://subversion.xray.aps.anl.gov/pyGSAS/trunk/help/Tutorials.html])]. This is the best place to start with GSAS-II.
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    4040  * [wiki:MiscNotes Developer Notes:] ~200 pages of code documentation are on a [https://readthedocs.org/ separate web site.] This is probably not valuable to most users, but code developers should look [wiki:MiscNotes here]. We invite people interested in developing or extending GSAS-II. The code is open source and we are happy to consider collaborations.