source: trunk/GSASIIpwdGUI.py

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Diff Rev Age Author Log Message
(edit) @3435   5 years vondreele make new routine GetSpGrpfromUser? & use it inGeneral & Transform fo …
(edit) @3420   5 years vondreele update hkl lines after spin change (still does nothing, but this is …
(edit) @3418   5 years vondreele move SGMagSpinBox from G2phsGUI to G2ctrlGUI add selection of spin …
(edit) @3395   5 years vondreele implement import of lattice parameters & space group info into Unit …
(edit) @3394   5 years vondreele implement "Load Unit Cell" from phase on phase list to Unit Cell for …
(edit) @3391   5 years vondreele fix copy of Instrument parameters to not copy the Azimuth
(edit) @3365   5 years vondreele remove qplot,dplot, etc from PWDR data[0] dict - weren't ever used …
(edit) @3357   5 years vondreele fix problem of input cell a in hexagonal in Unit Cells window. Now …
(edit) @3356   5 years vondreele remove commented out SetTitle? & SetLabel? for data window from various …
(edit) @3355   5 years toby name main & plot window against project name, remove other SetTitle? calls
(edit) @3348   5 years vondreele add new configuration for selecting instprm first add save.load for …
(edit) @3338   5 years vondreele fix SpnFlp? issues for mcif imports - had messed up mag structure …
(edit) @3337   5 years vondreele fixes to MagStructureFactor2use ValidatedTxYctrl? for unit cell input …
(edit) @3264   5 years toby deal with lack of BackFile? for older GPX files
(edit) @3260   5 years toby misc Py3 fixes
(edit) @3248   5 years vondreele fix powder peaks input/display/indexing fix issue with hkl display on …
(edit) @3245   5 years vondreele fix problem with incommensurate magnetic structures from CIFhklReader …
(edit) @3234   5 years vondreele new G2spc.SSChoice routine finds all allowed super space group symbols …
(edit) @3231   5 years vondreele fix bug in IndexPeaks? display fix import pypowder issue in G2math fix …
(edit) @3228   5 years toby fix rename of PWDR entries
(edit) @3227   5 years vondreele incommensurate ndexing changes & fixes
(edit) @3226   5 years toby Add error for fixed point fit w/no points
(edit) @3193   5 years toby better error msg w/o calibrant; search comments when Sample Parameters …
(edit) @3191   5 years vondreele fix integer divides in responding to unit cell changes on Unit Cells …
(edit) @3175   5 years vondreele correct plotting errors in PlotPeakWidths?, add cursor report of …
(edit) @3173   5 years vondreele ensure limits on multiple powder patterns from integration are …
(edit) @3171   5 years vondreele fix missing window size parameter changes to super symmetry selection stuff
(edit) @3157   6 years vondreele add Lorentzian term 'Z' to CW profile instrument parameters - constant …
(edit) @3155   6 years vondreele Fix integer divide issue in OnCellChange? in G2pwdGUI
(edit) @3136   6 years vondreele make GSAS-II python 3.6 compliant & preserve python 2.7 use;changes: …
(edit) @3101   6 years vondreele change SetScrollRate?(1,1) to SetScrollRate?(10,10) - improves scrolling …
(edit) @3096   6 years toby fix fixed background refinement
(edit) @3070   6 years vondreele implement use of background pattern for PWDR data. Used for plot & …
(edit) @3063   6 years vondreele improve auto peak search - tuning both lower limit & overlap rejection
(edit) @3037   6 years vondreele remove a stray status text() get rid of wx.EXPAND for Sample …
(edit) @3023   6 years odonnell remove wx dependency for GSASIIscriptable
(edit) @3000   6 years toby make the two frame version the trunk as we hit version 3000
(edit) @2846   6 years vondreele implement SVD inversion (Moore Penrose invert routine) in Hessian LSQ …
(edit) @2820   6 years vondreele PWDR import now scriptable for single bank patterns
(edit) @2817   6 years vondreele major revision - move all importers to GSASIIobj & make them …
(edit) @2808   6 years vondreele small fixes to reflectometry calcs. fix Hessian restraint bug - wrong …
(edit) @2802   6 years toby updates for doc build
(edit) @2788   6 years vondreele make I/Ib floats in ImageCalibrants?.py fix issue for SASD seq. …
(edit) @2786   6 years vondreele fix seq REFD results display fix 'Rough' problems
(edit) @2785   6 years vondreele add a fit all option for REFD patterns
(edit) @2783   6 years vondreele include imports/G2rfd_xye.py implement instrument smearing of …
(edit) @2782   6 years vondreele add autoscaling to autointegration impose check on rescale limits - …
(edit) @2780   6 years vondreele add .chi file importer to the .xye importer implement rescaling of …
(edit) @2777   6 years vondreele implement import of getPDFx G(R) files NB: these have no matching PWDR …
(edit) @2776   6 years vondreele add a number of materials to Substances.py implement multilayer …
(edit) @2774   6 years vondreele implement MC/SA for reflectometry more image importer speed ups
(edit) @2772   6 years vondreele do some speedups of image tiff readers Modify PlotXY so it sort of …
(edit) @2771   6 years vondreele fix copy model problem
(edit) @2770   6 years vondreele fix import new phase behavior - wasn't finishing properly fix HKL …
(edit) @2768   6 years toby crash on Bravais lattice selection
(edit) @2767   6 years vondreele make clearer H->R & R->H transformation labels implement generic unit …
(edit) @2766   6 years vondreele add display of optional vertical lines to PlotXY (used for …
(edit) @2763   6 years vondreele add plotting of reflectometry model scattering profiles add magnetic …
(edit) @2762   6 years vondreele fix sequential peak fit display fix window crash issue in …
(edit) @2758   6 years vondreele implement L-BFGS-B and basinhopping (preliminary) minimizers for …
(edit) @2757   6 years vondreele workable reflectometry fitting by Levenberg-Marquart least squares.
(edit) @2755   6 years vondreele extend Export HKLs for powder data to include most all columns in …
(edit) @2754   6 years vondreele fix "off-by-one" problem in powder profiles; calc missed last point - …
(edit) @2753   6 years vondreele minor shuffling about for atom constraints - no discernable impact …
(edit) @2749   6 years vondreele fix issues with HKLF reflection displays
(edit) @2744   6 years vondreele delt-G(R) cleanup
(edit) @2740   6 years vondreele fix issue with optimizing PDFs without Sample Bkg. Finish implementing …
(edit) @2739   6 years vondreele comment out "other self-updating plots" - caused failures in GSASII.py …
(edit) @2735   6 years vondreele set default flight path = 20. in case FPATH0 missing from TOF Iparm …
(edit) @2730   6 years vondreele fix glitches when no comments or no background file
(edit) @2729   6 years vondreele add estimate of Sample Back multiplier based on exposure times & no. …
(edit) @2727   6 years vondreele fix issue with formula volume in PDF creation block Lebail selection …
(edit) @2715   6 years vondreele put histogram numbers in sorted order for View LS parms remove some …
(edit) @2714   6 years vondreele fix blunder in PDF optimizer
(edit) @2710   6 years vondreele improve ExportPDF with G2file selector & allow selection of I(Q), …
(edit) @2708   6 years vondreele removed 'Add' fromPDF default file items add 'Refine' for Sample Bkg …
(edit) @2705   6 years vondreele fix 'Area detector' from 'Image plate' issue.
(edit) @2703   6 years vondreele fix problem with default Sample parms for lab data default selection
(edit) @2701   6 years vondreele Rename ShowLSParms to OnShowLSParms Add [Ymin,Ymax] to PWDR data[0] …
(edit) @2700   6 years vondreele fix issues withh single/multiscan Bruker raw files recover Temperature …
(edit) @2698   6 years vondreele work over sequentia fit stuff - allow all parameters shown in table to …
(edit) @2697   6 years vondreele put colList for seqTable in G2frame it has persistence when plot is …
(edit) @2695   6 years vondreele use min(intensity) as default for PDF Flat Bkg - gives better start …
(edit) @2694   6 years vondreele after a repeat of a sequential fit, clear away old plot. Removes …
(edit) @2692   6 years toby don't allow duplicate PDF entries; PWDR and PDF names must match.
(edit) @2689   6 years vondreele improve DepCorr? needed dist2/1000 - no rescaling needed - now almost …
(edit) @2688   6 years vondreele sequential PDF peak fitting now implemented
(edit) @2685   6 years vondreele save image recalibrate all in sequential results table allow global …
(edit) @2681   6 years vondreele fix missing 'Oblique' problem in G2imgGUI fix inner 2-theta limit …
(edit) @2676   6 years vondreele refactor UpdatePDFGrid to break up into blocks of sizers
(edit) @2675   6 years toby Make new PDF names unique; plot G(r); minor fixes
(edit) @2674   6 years vondreele prevent delete if PWDR if corresponding PDF exists use PickElements? …
(edit) @2673   6 years vondreele moved GetFileList? to top of G2pwdGUI - needed in two places. The one …
(edit) @2670   6 years toby Add PDF computation to autointegrate
(edit) @2661   6 years vondreele G(R) peak picking & GUI now done - no CN calc yet & no fitting yet
(edit) @2660   6 years vondreele fix issues with new pdf creation & fully trap missing elements problem …
(edit) @2659   6 years vondreele make lab data (2 x-ray wavelengths) instrument default …
(edit) @2657   6 years toby deal with dead grids
(edit) @2654   6 years toby improve ComputeAllPDF progress msg; PDF contour plot: change G(r)_min
(edit) @2653   6 years toby fix Update bug; Enhancements for Peak List: widen selected peak line; …
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