# # ChangeLog for trunk # # Generated by Trac 1.0.13 # Jun 17, 2025 10:09:14 AM Mon, 27 Mar 2017 19:00:48 GMT vondreele [2762] * trunk/GSASIIgrid.py (modified) * trunk/GSASIIpwdGUI.py (modified) fix sequential peak fit display fix window crash issue in ... Sat, 25 Mar 2017 19:26:29 GMT vondreele [2761] * trunk/GSASIIpwd.py (modified) * trunk/Substances.py (modified) fix parameter bugs for reflectometry add more substances Fri, 24 Mar 2017 17:20:38 GMT vondreele [2760] * trunk/GSASIIimage.py (modified) new auto spot mask finder - works for diamond spots (not so well fro ... Thu, 23 Mar 2017 17:08:06 GMT vondreele [2759] * trunk/GSASIIgrid.py (modified) * trunk/GSASIIimgGUI.py (modified) fix problem viewing LS parameters with constraints fix problem ... Tue, 21 Mar 2017 20:34:22 GMT vondreele [2758] * trunk/GSASIIpwd.py (modified) * trunk/GSASIIpwdGUI.py (modified) implement L-BFGS-B and basinhopping (preliminary) minimizers for ... Tue, 21 Mar 2017 16:01:51 GMT vondreele [2757] * trunk/GSASIIpwd.py (modified) * trunk/GSASIIpwdGUI.py (modified) workable reflectometry fitting by Levenberg-Marquart least squares. Mon, 20 Mar 2017 20:43:50 GMT vondreele [2756] * trunk/imports/G2img_1TIF.py (modified) fix importer for Perkin-Elmer 4Kx4K detector Mon, 20 Mar 2017 14:53:00 GMT vondreele [2755] * trunk/GSASII.py (modified) * trunk/GSASIIctrls.py (modified) * trunk/GSASIIgrid.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIpwd.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIsasd.py (modified) extend Export HKLs for powder data to include most all columns in ... Tue, 14 Mar 2017 15:19:59 GMT vondreele [2754] * trunk/GSASII.py (modified) * trunk/GSASIIIO.py (modified) * trunk/GSASIIgrid.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIpwd.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIstrMath.py (modified) fix "off-by-one" problem in powder profiles; calc missed last point - ... Fri, 10 Mar 2017 18:01:46 GMT vondreele [2753] * trunk/GSASII.py (modified) * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIspc.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMath.py (modified) minor shuffling about for atom constraints - no discernable impact ... Thu, 09 Mar 2017 14:54:25 GMT vondreele [2752] * trunk/GSASIIddataGUI.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMath.py (modified) fix (again) a LeBail bug on loading a new phase Wed, 08 Mar 2017 16:55:36 GMT vondreele [2751] * trunk/GSASIIctrls.py (modified) fix bug setting atom parms to zero. Wed, 08 Mar 2017 15:23:16 GMT vondreele [2750] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMath.py (modified) fix issues with adding new phase, forgetting to add atoms to it, and ... Tue, 07 Mar 2017 21:56:24 GMT vondreele [2749] * trunk/GSASIIpwdGUI.py (modified) fix issues with HKLF reflection displays Tue, 07 Mar 2017 21:12:26 GMT vondreele [2748] * trunk/GSASIIstrIO.py (modified) Sigh, another LeBail fix Tue, 07 Mar 2017 20:44:20 GMT vondreele [2747] * trunk/GSASIIgrid.py (modified) fix problem with viewing HKLF entries Tue, 07 Mar 2017 15:26:15 GMT vondreele [2746] * trunk/GSASIIddataGUI.py (modified) * trunk/GSASIIstrIO.py (modified) fix another Lebail bug dress up some formatting for mustrain & size ... Mon, 06 Mar 2017 20:12:32 GMT vondreele [2745] * trunk/GSASIIddataGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) fixes to SetPhaseWindow so scroll is over entire range of grids & ... Mon, 06 Mar 2017 16:03:02 GMT vondreele [2744] * trunk/GSASIIpwdGUI.py (modified) delt-G(R) cleanup Mon, 06 Mar 2017 15:50:50 GMT vondreele [2743] * trunk/GSASIIstrIO.py (modified) more Lebail fixes Sun, 05 Mar 2017 23:39:30 GMT toby [2742] * trunk/GSASIIimgGUI.py (modified) Key on autointegration on setdist Sun, 05 Mar 2017 13:20:52 GMT vondreele [2741] * trunk/GSASIIddataGUI.py (modified) * trunk/GSASIIstrIO.py (modified) fix issues with LeBail flags & Rietveld refinement Sat, 04 Mar 2017 23:22:27 GMT vondreele [2740] * trunk/GSASIIplot.py (modified) * trunk/GSASIIpwd.py (modified) * trunk/GSASIIpwdGUI.py (modified) fix issue with optimizing PDFs without Sample Bkg. Finish ... Sat, 04 Mar 2017 15:56:49 GMT vondreele [2739] * trunk/GSASII.py (modified) * trunk/GSASIIddataGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIstrIO.py (modified) comment out "other self-updating plots" - caused failures in ... Sat, 04 Mar 2017 14:34:05 GMT vondreele [2738] * trunk/exports/G2export_CIF.py (modified) * trunk/imports/G2phase.py (modified) * trunk/imports/G2phase_CIF.py (modified) * trunk/imports/G2phase_GPX.py (modified) * trunk/imports/G2phase_INS.py (modified) * trunk/imports/G2pwd_BrukerRAW.py (modified) * trunk/imports/G2pwd_CIF.py (modified) * trunk/imports/G2pwd_FP.py (modified) * trunk/imports/G2pwd_GPX.py (modified) * trunk/imports/G2pwd_csv.py (modified) * trunk/imports/G2pwd_fxye.py (modified) * trunk/imports/G2pwd_xye.py (modified) * trunk/imports/G2sad_xye.py (modified) * trunk/imports/G2sfact.py (modified) * trunk/imports/G2sfact_CIF.py (modified) removed all "except Exception as detail" blocks from importers & ... Fri, 03 Mar 2017 18:36:37 GMT vondreele [2737] * trunk/GSASIIphsGUI.py (modified) RB fix Fri, 03 Mar 2017 17:03:36 GMT toby [2736] * trunk/GSASII.py (modified) * trunk/imports/G2phase_INS.py (modified) more unicode fixes, fix shelx END problem Thu, 02 Mar 2017 18:48:10 GMT vondreele [2735] * trunk/GSASII.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIstrIO.py (modified) set default flight path = 20. in case FPATH0 missing from TOF Iparm ... Thu, 02 Mar 2017 15:36:12 GMT vondreele [2734] * trunk/GSASII.py (modified) * trunk/GSASIIgrid.py (modified) avoid spurious small phase data window after doing Refine. Phase data ... Thu, 02 Mar 2017 02:31:17 GMT toby [2733] * trunk/exports/G2export_CIF.py (modified) fix min/max in CIF Wed, 01 Mar 2017 22:02:01 GMT vondreele [2732] * trunk/GSASIIddataGUI.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMath.py (modified) finish up LeBail extraction option Wed, 01 Mar 2017 15:08:17 GMT vondreele [2731] * trunk/GSASIIgrid.py (modified) * trunk/GSASIIimage.py (modified) * trunk/GSASIIimgGUI.py (modified) add save of stress/strain ring intensities as MRD in txt file ... Tue, 28 Feb 2017 19:35:33 GMT vondreele [2730] * trunk/GSASIIpwdGUI.py (modified) fix glitches when no comments or no background file Tue, 28 Feb 2017 19:29:02 GMT vondreele [2729] * trunk/GSASIIpwdGUI.py (modified) add estimate of Sample Back multiplier based on exposure times & no. ... Tue, 28 Feb 2017 15:28:54 GMT vondreele [2728] * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMath.py (modified) disable LeBail stuff - messed up Rietveld. Mon, 27 Feb 2017 21:06:07 GMT vondreele [2727] * trunk/GSASII.py (modified) * trunk/GSASIIddataGUI.py (modified) * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIobj.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMath.py (modified) fix issue with formula volume in PDF creation block Lebail selection ... Mon, 27 Feb 2017 16:24:00 GMT vondreele [2726] * trunk/GSASII.py (modified) * trunk/GSASIIgrid.py (modified) * trunk/GSASIIphsGUI.py (modified) fix data window resizing problem after DoRefine trap Pawley issues ... Fri, 24 Feb 2017 18:39:36 GMT vondreele [2725] * trunk/GSASIIimage.py (modified) further fix to azimuth in stress/strain intensity plot - no exact ... Fri, 24 Feb 2017 18:21:51 GMT vondreele [2724] * trunk/GSASIIimage.py (modified) fix stress/strain radial intensity plot - azimuth offset by ellipse ... Fri, 24 Feb 2017 15:27:17 GMT vondreele [2723] * trunk/GSASIIimage.py (modified) * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIplot.py (modified) add patch for missing PolaVal in old image gpx files Stress/strain ... Thu, 23 Feb 2017 21:34:25 GMT vondreele [2722] * trunk/GSASIIgrid.py (modified) finish fix of seq. results table, column formats, allow use of ... Thu, 23 Feb 2017 19:26:52 GMT vondreele [2721] * trunk/GSASIIIO.py (modified) * trunk/GSASIIgrid.py (modified) * trunk/GSASIIimage.py (modified) * trunk/GSASIIobj.py (modified) * trunk/GSASIIstrMain.py (modified) fix pseudo variable issues when some vals are None fix problem of ... Thu, 23 Feb 2017 02:03:59 GMT vondreele [2720] * trunk/GSASIIgrid.py (modified) fix crash when plot selected but PWDR item not selected fix seq ... Wed, 22 Feb 2017 18:41:16 GMT vondreele [2719] * trunk/GSASII.py (modified) * trunk/GSASIIimgGUI.py (modified) clean up code formatting fix delete tree entry problem with names ... Tue, 21 Feb 2017 21:51:44 GMT vondreele [2718] * trunk/GSASIIddataGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMath.py (modified) implement LaBail - not finished. Tue, 21 Feb 2017 21:50:45 GMT vondreele [2717] * trunk/GSASII.py (modified) * trunk/GSASIIIO.py (modified) * trunk/GSASIIgrid.py (modified) * trunk/GSASIIpwd.py (modified) * trunk/GSASIIstrMain.py (modified) Mon, 20 Feb 2017 21:45:19 GMT vondreele [2716] * trunk/imports/G2img_1TIF.py (modified) import polarization for tif files from metadata file Sat, 18 Feb 2017 22:22:21 GMT vondreele [2715] * trunk/GSASII.py (modified) * trunk/GSASIIgrid.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMath.py (modified) put histogram numbers in sorted order for View LS parms remove some ... Sat, 18 Feb 2017 14:39:26 GMT vondreele [2714] * trunk/GSASIIpwdGUI.py (modified) fix blunder in PDF optimizer Fri, 17 Feb 2017 20:39:19 GMT vondreele [2713] * trunk/GSASIIstrMain.py (modified) avoid extraneous holds @ line 405 in GSASIIstrMain.py Fri, 17 Feb 2017 19:03:35 GMT vondreele [2712] * trunk/GSASII.py (modified) * trunk/GSASIIIO.py (modified) add export of G(R) in a format suitable for pdfGUI import Fri, 17 Feb 2017 15:49:22 GMT vondreele [2711] * trunk/GSASIIgrid.py (modified) fix sequential problem with unrefined parms in a block of histograms Thu, 16 Feb 2017 22:31:20 GMT vondreele [2710] * trunk/GSASII.py (modified) * trunk/GSASIIIO.py (modified) * trunk/GSASIIpwdGUI.py (modified) improve ExportPDF with G2file selector & allow selection of I(Q), ... Thu, 16 Feb 2017 21:37:06 GMT vondreele [2709] * trunk/GSASIIctrls.py (modified) provide numbering for self.ChoiceList in G2MultiChoiceDialog Thu, 16 Feb 2017 19:58:46 GMT vondreele [2708] * trunk/GSASIIobj.py (modified) * trunk/GSASIIpwdGUI.py (modified) removed 'Add' fromPDF default file items add 'Refine' for Sample Bkg ... Wed, 15 Feb 2017 18:49:18 GMT vondreele [2707] * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIIgrid.py (modified) some code layout changes rework ShowLSParms to allow selection for ... Wed, 15 Feb 2017 18:01:48 GMT toby [2706] * trunk/exports/G2export_CIF.py (modified) deal with all atoms having fractional occupancies Wed, 15 Feb 2017 16:03:34 GMT vondreele [2705] * trunk/GSASIIobj.py (modified) * trunk/GSASIIpwdGUI.py (modified) fix 'Area detector' from 'Image plate' issue. Tue, 14 Feb 2017 18:17:11 GMT vondreele [2704] * trunk/GSASIIrestrGUI.py (modified) allow chemical restraints on one or more atoms (used to be 3 or more) Tue, 14 Feb 2017 15:52:37 GMT vondreele [2703] * trunk/GSASII.py (modified) * trunk/GSASIIIO.py (modified) * trunk/GSASIIpwdGUI.py (modified) fix problem with default Sample parms for lab data default selection Tue, 14 Feb 2017 15:21:32 GMT vondreele [2702] * trunk/GSASII.py (modified) * trunk/GSASIIrestrGUI.py (modified) fix bug in G2restrGUI Mon, 13 Feb 2017 20:58:18 GMT vondreele [2701] * trunk/GSASII.py (modified) * trunk/GSASIIIO.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIpwdGUI.py (modified) Rename ShowLSParms to OnShowLSParms Add [Ymin,Ymax] to PWDR data[0] ... Sat, 11 Feb 2017 16:02:44 GMT vondreele [2700] * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/imports/G2pwd_BrukerRAW.py (modified) fix issues withh single/multiscan Bruker raw files recover ... Fri, 10 Feb 2017 19:43:02 GMT vondreele [2699] * trunk/GSASII.py (modified) fix bug involving input of lab data - Sample defaults for Bragg- ... Fri, 10 Feb 2017 18:30:28 GMT vondreele [2698] * trunk/GSASIIgrid.py (modified) * trunk/GSASIIobj.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMain.py (modified) work over sequentia fit stuff - allow all parameters shown in table ... Thu, 09 Feb 2017 19:40:39 GMT vondreele [2697] * trunk/GSASIIgrid.py (modified) * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIpwdGUI.py (modified) put colList for seqTable in G2frame it has persistence when plot is ... Thu, 09 Feb 2017 15:03:55 GMT vondreele [2696] * trunk/GSASIIgrid.py (modified) * trunk/GSASIIimgGUI.py (modified) * trunk/ImageCalibrants.py (modified) use F d 3 m for Si space group in ImageCalibrants - should eliminate ... Wed, 08 Feb 2017 18:31:24 GMT vondreele [2695] * trunk/GSASII.py (modified) * trunk/GSASIIgrid.py (modified) * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIobj.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIstrMath.py (modified) use min(intensity) as default for PDF Flat Bkg - gives better start ... Tue, 07 Feb 2017 20:50:13 GMT vondreele [2694] * trunk/GSASII.py (modified) * trunk/GSASIIgrid.py (modified) * trunk/GSASIIimage.py (modified) * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIpwdGUI.py (modified) after a repeat of a sequential fit, clear away old plot. Removes ... Mon, 06 Feb 2017 19:45:06 GMT vondreele [2693] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) fix problem in Fourier reflection selection where if no selection ... Sat, 04 Feb 2017 23:54:36 GMT toby [2692] * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIobj.py (modified) * trunk/GSASIIpwdGUI.py (modified) don't allow duplicate PDF entries; PWDR and PDF names must match. Sat, 04 Feb 2017 16:04:46 GMT vondreele [2691] * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) fix Transform - cell constraints were wrong needed to clear ... Fri, 03 Feb 2017 22:45:57 GMT vondreele [2690] * trunk/GSASIIimgGUI.py (modified) one more tweak of penetration correction Fri, 03 Feb 2017 22:43:25 GMT vondreele [2689] * trunk/GSASIIimage.py (modified) * trunk/GSASIIpwd.py (modified) * trunk/GSASIIpwdGUI.py (modified) improve DepCorr needed dist**2/1000 - no rescaling needed - now ... Fri, 03 Feb 2017 20:23:47 GMT vondreele [2688] * trunk/GSASIIgrid.py (modified) * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIobj.py (modified) * trunk/GSASIIpwd.py (modified) * trunk/GSASIIpwdGUI.py (modified) sequential PDF peak fitting now implemented Thu, 02 Feb 2017 20:17:37 GMT vondreele [2687] * trunk/GSASIIgrid.py (modified) * trunk/GSASIIimage.py (modified) * trunk/GSASIIimgGUI.py (modified) * trunk/imports/G2img_1TIF.py (modified) problem if ESD=0 in EvalPSvarDeriv; just return 0. add 'setdist' to ... Thu, 02 Feb 2017 16:34:07 GMT vondreele [2686] * trunk/GSASIIimage.py (modified) * trunk/GSASIIimgGUI.py (modified) for image calibration constants, redefine DetDepth to be old ... Thu, 02 Feb 2017 05:11:59 GMT vondreele [2685] * trunk/GSASIIgrid.py (modified) * trunk/GSASIIimage.py (modified) * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIpwdGUI.py (modified) save image recalibrate all in sequential results table allow global ... Thu, 02 Feb 2017 01:58:04 GMT toby [2684] * trunk/GSASIIctrls.py (modified) * trunk/GSASIIgrid.py (modified) * trunk/GSASIIimgGUI.py (modified) Image Parameters: split menus, more xfer angles options Tue, 31 Jan 2017 23:50:20 GMT toby [2683] * trunk/GSASII.py (modified) fix sum images Tue, 31 Jan 2017 22:33:29 GMT toby [2682] * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIpath.py (modified) fix EditTable bug Tue, 31 Jan 2017 21:38:48 GMT vondreele [2681] * trunk/GSASIIgrid.py (modified) * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIpwd.py (modified) * trunk/GSASIIpwdGUI.py (modified) fix missing 'Oblique' problem in G2imgGUI fix inner 2-theta limit ... Tue, 31 Jan 2017 16:27:36 GMT toby [2680] * trunk/GSASIIElemGUI.py (modified) simplify a bit further; tested w/EPD on Mac & WinXP Tue, 31 Jan 2017 16:06:45 GMT vondreele [2679] * trunk/GSASIIElemGUI.py (modified) tidy up periodic table - better foreground/background contrast on ... Tue, 31 Jan 2017 15:28:46 GMT vondreele [2678] * trunk/GSASIIElemGUI.py (modified) fix display of periodic table for windows. Now shows colors. Mon, 30 Jan 2017 23:30:07 GMT toby [2677] * trunk/GSASIIimgGUI.py (modified) show formula, etc. from .pdfprm file Mon, 30 Jan 2017 22:03:55 GMT vondreele [2676] * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIpwdGUI.py (modified) refactor UpdatePDFGrid to break up into blocks of sizers Mon, 30 Jan 2017 20:38:50 GMT toby [2675] * trunk/GSASII.py (modified) * trunk/GSASIIgrid.py (modified) * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIobj.py (modified) * trunk/GSASIIpwdGUI.py (modified) Make new PDF names unique; plot G(r); minor fixes Mon, 30 Jan 2017 20:25:48 GMT vondreele [2674] * trunk/GSASII.py (modified) * trunk/GSASIIElemGUI.py (modified) * trunk/GSASIIgrid.py (modified) * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIpwdGUI.py (modified) prevent delete if PWDR if corresponding PDF exists use PickElements ... Mon, 30 Jan 2017 16:05:43 GMT vondreele [2673] * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIpwdGUI.py (modified) moved GetFileList to top of G2pwdGUI - needed in two places. The one ... Mon, 30 Jan 2017 03:36:40 GMT toby [2672] * trunk/GSASIIplot.py (modified) fixed legend for G(r), S(Q),... Mon, 30 Jan 2017 00:00:26 GMT toby [2671] * trunk/GSASIIimage.py (modified) * trunk/GSASIIimgGUI.py (modified) Set calib d-min as option for xfer angles; fix trig error Sat, 28 Jan 2017 18:12:49 GMT toby [2670] * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIpwdGUI.py (modified) Add PDF computation to autointegrate Sat, 28 Jan 2017 17:02:40 GMT vondreele [2669] * trunk/GSASII.py (modified) set lower limit selection in TOF patterns to be >= 0.4A dspacing. Sat, 28 Jan 2017 00:03:36 GMT toby [2668] * trunk/GSASIIElemGUI.py (modified) white letters for dark element colors (Mac/Linux) Fri, 27 Jan 2017 23:11:33 GMT toby [2667] * trunk/GSASII.py (modified) * trunk/GSASIIobj.py (modified) prevent Unicode in data tree names; move PDF setup to standalone routine Fri, 27 Jan 2017 21:42:03 GMT vondreele [2666] * trunk/GSASIIElemGUI.py (modified) increase windows element button slightly Fri, 27 Jan 2017 19:36:41 GMT vondreele [2665] * trunk/GSASIIphsGUI.py (modified) fix problem changing atom type for selected atoms - Type was made ... Fri, 27 Jan 2017 19:18:23 GMT toby [2664] * trunk/GSASIIElemGUI.py (modified) increase button size in periodic table on Mac/Linux Fri, 27 Jan 2017 19:13:55 GMT toby [2663] * trunk/GSASIIElemGUI.py (modified) fix periodic table on Mac