source: trunk

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Diff Rev Age Author Log Message
(edit) @5149   23 months toby more doc formatting cleanup
(edit) @5148   23 months toby add/fix comments
(edit) @5147   23 months vondreele Add new routine to G2lat - AplusDij? & use it in a couple of places add …
(edit) @5146   23 months toby fix slider
(edit) @5145   23 months toby fix testDeriv to handle derivatives of parameters created by …
(edit) @5144   23 months vondreele G2pwd - close file left unclosed (fqdata) skip generating …
(edit) @5143   23 months toby more Mogul fixes
(edit) @5142   23 months toby revise CIF output to include only unique su values
(edit) @5141   23 months vondreele avoid crash & provide error message on console if EDX data used in a …
(edit) @5140   23 months vondreele fix fitting background points for EDX data
(edit) @5139   23 months vondreele further fixes for putting Type in the DData entry.
(edit) @5138   23 months vondreele Add histogram Type to default DData dictionary; needed for EDX but …
(edit) @5137   23 months vondreele fix to constraint delete function - order of delete list must be …
(edit) @5136   23 months toby warn if shift/s.u. may not be correct for CIF project export
(edit) @5135   23 months toby show that max(shtf/esd) is from all cycles; fix bug for install path …
(edit) @5133   23 months toby deal with .so files not working in upgraded OS on M1 Mac
(edit) @5132   23 months toby correct M1 Mac bin path name
(edit) @5130   23 months vondreele revise ISODISTORT operation - now uses Method 4 by default. Revise …
(edit) @5129   23 months toby Raspbian-64 (bullseye) build & fixes
(edit) @5128   23 months toby include s.u. for all atom parameters
(edit) @5127   23 months toby misc CIF fixes (init block name; stop save of default template file name)
(edit) @5125   2 years toby successful Raspberry Pi install
(edit) @5124   2 years vondreele Fix problem of computing Bragg peak background function with irregular …
(edit) @5123   2 years toby 1st pass at fixing Mogul imports
(edit) @5122   2 years toby start on fullrmc mods; wx4.1 fix; address wx.Point with float args warning
(edit) @5120   2 years toby fix arrow keys for PlotPattern? in w mode
(edit) @5119   2 years toby fix (partial?) problems with reading short HM names in fulHM routine
(edit) @5118   2 years toby revisions for constraint processing & display
(edit) @5117   2 years vondreele complete implementation of EDX data in GSAS-II; will do LeBail? or …
(edit) @5116   2 years vondreele fixes to EDX calcs for LeBail?; start on Pawley for EDX.
(edit) @5115   2 years vondreele fix cif exporter
(edit) @5114   2 years vondreele various fixes for EDX data fitting by LeBail? various fixes for SAD …
(edit) @5113   2 years vondreele set limits in PDF calcs to use the selected lower limit but ignore the …
(edit) @5112   2 years vondreele implement energy dispersive x-ray data as a new type 'PXE'; assume …
(edit) @5111   2 years toby fixed new minor errors
(edit) @5110   2 years toby constraint comments
(edit) @5109   2 years vondreele fix problems of multiphase structure drawings & bad geometries seen …
(edit) @5108   2 years vondreele Add tests to transformation matrix in TransformDialog?; returns None if bad.
(edit) @5107   2 years vondreele fix instrument parameter file prep for x-ray data in RMCProfile
(edit) @5106   2 years vondreele modifications to handle sequential PDFfit analysis & plot the results. …
(edit) @5105   2 years vondreele fix monoclinic b form for CellDijCorr? line 275; missing last zero.
(edit) @5104   2 years toby fix misc. sphinx-docs formatting
(edit) @5102   2 years toby note 2021 or later OriginPro? requirement
(edit) @5101   2 years vondreele fix typo in line 4435 Origin stuff
(edit) @5100   2 years toby make sure excludeMode is initialized
(edit) @5099   2 years toby fix: seq hist template now saved; delay file open
(edit) @5098   2 years toby correct additional of cell type in indexing
(edit) @5097   2 years vondreele Add message for when PDFfit2 is missing or unavailable.
(edit) @5096   2 years vondreele add stripped down windows version (no Tests) of diffpy to GSAS-II …
(edit) @5095   2 years vondreele fix RESO in export MTZ
(edit) @5094   2 years vondreele fix issues in export MTZ. Make F as default (instead of F2)
(edit) @5090   2 years vondreele add MTZ exporter for both F2 and F options. The F style MTZ file can …
(edit) @5086   2 years toby more mmCIF seqCIF work: export used hists, fix R-factor reporting, …
(edit) @5085   2 years toby more mmCIF fixes; combine Overall & Phase blocks where single-phase
(edit) @5084   2 years toby update PWDR help btn formatting; compute changes to peak values …
(edit) @5083   2 years toby fix scaling of ISODISTORT displacement modes so esds are correct; …
(edit) @5082   2 years toby fix scaling of ISODISTORT displacement modes so esds are correct; …
(edit) @5081   2 years toby mmCIF export: more atoms table tweaks
(edit) @5080   2 years toby mmCIF export: histogram info
(edit) @5079   2 years toby mmCIF export: more work on atoms table
(edit) @5078   2 years toby start on mmCIF export
(edit) @5077   2 years vondreele make all plot line widths in PlotPatterns? = 1.5. This looks best.
(edit) @5076   2 years vondreele powder plots are now '+' or lines; not combined for the obs data.
(edit) @5075   2 years vondreele finish 1st attempt at GSAS-II to PDFfit interface - it seems to work.
(edit) @5074   2 years toby allow older Python -- fixed
(edit) @5073   2 years toby allow older Python
(edit) @5072   2 years toby cleanup indexing of phases/hists
(edit) @5071   2 years vondreele Add 'Temp' to PDF controls - needed for future se. PDFfit fix bugs in …
(edit) @5070   2 years toby ISO: add show mode defs; create CIF for ISO calc; remove ISO calc from …
(edit) @5069   2 years toby Make svn location a config option
(edit) @5068   2 years toby add Run ISODISTORT to menu for ISODISTORT tab; allow it to be rerun
(edit) @5067   2 years toby ISODISTORT mode/displacement fixes; allow indexing of all Phases where …
(edit) @5066   2 years vondreele fixes to RMCProfile stuff to accomodate creation of vacancies in …
(edit) @5065   2 years vondreele remove check on Histograms & Phases in beginning of UpdateConstraints? …
(edit) @5064   2 years vondreele
(edit) @5063   2 years toby Start on isodisplace import cleanup & formatting; plotting changes for …
(edit) @5062   2 years toby Start on isodisplace import cleanup & formatting; plotting changes for …
(edit) @5061   2 years vondreele remove misused WACV in ISODISTORT stuff
(edit) @5060   2 years vondreele finish drawing of distortion modes as user adjusted.
(edit) @5059   2 years vondreele patch for missing metadata for PDFfit fix (again) the Va_ neutron …
(edit) @5058   2 years vondreele provide sliders for mode displacements - not connected yet
(edit) @5057   2 years vondreele cleanup ISODISTORT references in constraints & its phase tab …
(edit) @5056   2 years vondreele add message boxes to ISODISTORT stuff
(edit) @5055   2 years vondreele Add 'Va' to blen table - already had 'Va_'
(edit) @5054   2 years vondreele place run ISODISTORT in General/Compute? menu Create interface to …
(edit) @5052   2 years toby Update PSD model in FPA code/docs; minor changes in comments
(edit) @5051   2 years toby FPA help updates; misc minor fixes
(edit) @5050   2 years vondreele further progress on PDFfit interface fix formats in RMCProfile setup.
(edit) @5049   2 years vondreele split the mainSizer in UpdateRMC into 3 sub sizers: …
(edit) @5048   2 years toby better formatting for PWDR windows and help
(edit) @5047   2 years toby CIF export fixes; work around for IsModified?() not showing changes
(edit) @5046   2 years toby suppress breakpoint() unless inside spyder or debug mode is set; …
(edit) @5045   2 years vondreele Add plotting of results after a PDFfit run.
(edit) @5044   2 years vondreele implement copy of LeBail? F0 & Fc from previous histogram in a …
(edit) @5043   2 years vondreele Add ISODISTORT menu option to RMC menu; active only for PDFfit (under …
(edit) @5042   2 years toby implement sequential CIF export; minor CIF bug fixes; add su to seq …
(edit) @5041   2 years vondreele begin to add PDFfit to RMC stuff
(edit) @5040   2 years toby fix sym-gen constraint display
(edit) @5038   2 years toby Major revision to constraints including an update to the Sequential …
(edit) @5037   2 years vondreele add use GPU option for running RMCProfile remove scrolled sub panels …
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