Changes between Version 39 and Version 40 of WikiStart
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- May 19, 2017 4:16:02 PM (6 years ago)
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WikiStart
v39 v40 3 3 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/ 4 4 5 We 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. 5 6 6 The code is changing on a regular basis, so expect things to break from time to time (see bug reporting, [#Bugs below]). Be sure to 'Update' frequently to stay abreast of new features as they are added. 7 8 If you use GSAS-II, please sign up for the GSAS-II mailing list, see web page [http://www.aps.anl.gov/mailman/listinfo/GSAS-II] and '''please [#PleaseCite cite it]'''. 7 If you use GSAS-II, we encourage you to sign up for the GSAS-II mailing list [http://www.aps.anl.gov/mailman/listinfo/GSAS-II here (http://www.aps.anl.gov/mailman/listinfo/GSAS-II)] and '''please help us by [#PleaseCite citing it] in your papers'''. 9 8 10 9 == Installation instructions == … … 29 28 In the future we hope to increase the amount of documentation available but for now this is what is available: 30 29 31 * 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.30 * [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. 32 31 33 * Tutorials: [https://subversion.xray.aps.anl.gov/pyGSAS/trunk/help/gsasII.html#Tutorials]. This is a great place to start with GSAS-II.32 * [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. 34 33 35 * Developer Notes: see [wiki:MiscNotes this wiki page]. This includes an extensive guide to the code that runs GSAS-II, but is probably not valuable to most users.34 * [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. 36 35 37 36 == Mailing List == … … 40 39 * To subscribe use [http://www.aps.anl.gov/mailman/listinfo/GSAS-II this link] for the Web interface or send an e-mail to "GSAS-II-request @ mailman.aps.anl.gov" (remove spaces). Use as the subject ```subscribe``` (or ```subscribe <password>``` where <password> is your preference for a mailing list login password). 41 40 42 * E-mails to the list are archived at http://www.mail-archive.com/gsas-ii@mailman.aps.anl.gov/ ,41 * E-mails to the list are archived at http://www.mail-archive.com/gsas-ii@mailman.aps.anl.gov/ (with search) and at https://mailman.aps.anl.gov/pipermail/gsas-ii/ (no search). Alternately, search by entering text 43 42 {{{ 44 43 #!html 45 44 <form action="http://www.mail-archive.com/search" method=get> 46 which can be searched by typing texthere: <input type="hidden" name="l" value="gsas-ii@mailman.aps.anl.gov">45 here: <input type="hidden" name="l" value="gsas-ii@mailman.aps.anl.gov"> 47 46 <input type=text name="q" value="" size=30> 48 and press ingReturn.</form>47 and press Return.</form> 49 48 }}} 50 51 * The APS archives the e-mails [https://mailman.aps.anl.gov/pipermail/gsas-ii/ here (https://mailman.aps.anl.gov/pipermail/gsas-ii/)], but offers no search capabilities.52 49 53 50 == Bugs == … … 70 67 == GSAS-II Project tracking == 71 68 72 Lists of the updates made to the source code can be followed using the [https://subversion.xray.aps.anl.gov/trac/pyGSAS/timeline Timeline Trac tool] at this website. T o enter a ticket, send an e-mail to Brian Toby. The Roadmap feature isnot currently in use.69 Lists of the updates made to the source code can be followed using the [https://subversion.xray.aps.anl.gov/trac/pyGSAS/timeline Timeline Trac tool] at this website. Tickets and the Roadmap feature are not currently in use. 73 70 74 71 == APS User's Group ==