# # ChangeLog for trunk # # Generated by Trac 1.0.13 # Jun 17, 2025 9:18:20 AM Sat, 17 Oct 2020 15:18:03 GMT vondreele [4603] * trunk/GSASIIconstrGUI.py (modified) change CheckBox to Button for use RB center Sat, 17 Oct 2020 14:05:15 GMT vondreele [4602] * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) add molecular (RB) center option Sat, 17 Oct 2020 02:19:26 GMT toby [4601] * trunk/GSASIIphsGUI.py (modified) message to replace add RB table Sat, 17 Oct 2020 01:55:45 GMT toby [4600] * trunk/GSASIIphsGUI.py (modified) remove adding atoms warning; fix body fitting bugs Fri, 16 Oct 2020 20:39:52 GMT toby [4599] * trunk/GSASIIphsGUI.py (modified) remove RB match box when no atoms can be matched Fri, 16 Oct 2020 17:00:27 GMT vondreele [4598] * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) cosmetic changes Fri, 16 Oct 2020 16:49:13 GMT toby [4597] * trunk/GSASIIphsGUI.py (modified) add x+y and x+y+z as RB axes; move widget storage Fri, 16 Oct 2020 14:33:07 GMT vondreele [4596] * trunk/imports/G2img_1TIF.py (modified) another python 3.4+ fix Thu, 15 Oct 2020 22:43:24 GMT toby [4595] * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIstrMath.py (modified) add RB sym axis; implement in RB add; minor RB GUI reorg Wed, 14 Oct 2020 19:56:09 GMT vondreele [4594] * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIIctrlGUI.py (modified) * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIddataGUI.py (modified) * trunk/GSASIIexprGUI.py (modified) * trunk/GSASIIfiles.py (modified) * trunk/GSASIIfpaGUI.py (modified) * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIrestrGUI.py (modified) * trunk/imports/G2img_CBF.py (modified) remove WACV,wx.ALIGN_CENTER_VERTICAL from all Add for wx.VERTICAL ... Tue, 13 Oct 2020 19:16:15 GMT vondreele [4593] * trunk/GSASIIimage.py (modified) * trunk/GSASIIplot.py (modified) fix image plotting issues with 2-theta limits, arc & ring masks & ... Tue, 13 Oct 2020 14:05:15 GMT vondreele [4592] * trunk/GSASIIpwd.py (modified) fix crash in CalcPDF where the profile W array was 1 longer than the ... Mon, 12 Oct 2020 19:12:51 GMT toby [4591] * trunk/GSASIIstrIO.py (modified) fix limit bug Mon, 12 Oct 2020 15:57:49 GMT toby [4590] * trunk/GSASIIobj.py (modified) * trunk/GSASIIscriptable.py (modified) complete scripting for Parameter Limits Mon, 12 Oct 2020 14:35:16 GMT vondreele [4589] * trunk/GSASIIimage.py (modified) * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIplot.py (modified) new GetDetectorXY routine to return correct xy positions for arcs, ... Sun, 11 Oct 2020 17:07:42 GMT toby [4588] * trunk/GSASIIctrlGUI.py (modified) * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIobj.py (modified) * trunk/GSASIIpwd.py (modified) * trunk/GSASIIscriptable.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMain.py (modified) use G2VarObj for param limits; add more info to seq. ref. done ... Thu, 08 Oct 2020 14:59:00 GMT vondreele [4587] * trunk/GSASIIimage.py (modified) New version of GetTthAzmDsp to use det2theta Wed, 07 Oct 2020 13:01:33 GMT vondreele [4586] * trunk/GSASIIimage.py (modified) fix the new GetTthAzmG Wed, 07 Oct 2020 12:55:03 GMT vondreele [4585] * trunk/GSASIIimage.py (modified) use new GetTthAzmG version for image integrations. Wed, 07 Oct 2020 02:21:35 GMT toby [4584] * trunk/GSASIIconstrGUI.py (modified) prevent duplicate names for rigid bodies; make sure vector RB has 3+ ... Tue, 06 Oct 2020 00:10:21 GMT toby [4583] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) revise graphics & input for Insert Rigid Body Sun, 04 Oct 2020 19:51:27 GMT vondreele [4582] * trunk/GSASIIimage.py (modified) * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIlattice.py (modified) * trunk/imports/G2img_CBF.py (modified) New image calibration/integration routines for 2-theta stepped ... Fri, 02 Oct 2020 15:03:39 GMT toby [4581] * trunk/GSASIIpwdGUI.py (modified) magnetism bugs: Load Phase not reseting SGData; error msg when ... Mon, 28 Sep 2020 22:26:51 GMT toby [4579] * trunk/GSASIIctrlGUI.py (modified) bug fix: mising Uiso from parameter list Mon, 28 Sep 2020 18:23:10 GMT toby [4578] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIobj.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIscriptable.py (modified) * trunk/GSASIIstrMain.py (modified) * trunk/atmdata.py (modified) * trunk/defaultIparms.py (modified) docs for freezing parameters started + docs cleanup; start scriptable ... Thu, 24 Sep 2020 22:21:47 GMT vondreele [4577] * trunk/GSASIIconstrGUI.py (modified) A much better fix to the C++ bug. Happens in Windows when gpx file ... Wed, 23 Sep 2020 21:10:36 GMT vondreele [4576] * trunk/GSASIIconstrGUI.py (modified) fix C++ crash in GSASIIconstrGUI.py - 2 OnPageChanged routines cor ... Mon, 21 Sep 2020 20:43:06 GMT toby [4573] * trunk/GSASIIIO.py (modified) * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIIctrlGUI.py (modified) * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIddataGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/exports/G2export_PDB.py (modified) * trunk/imports/G2phase_xyz.py (added) RB extensions and minor bug fixes Fri, 18 Sep 2020 20:22:51 GMT vondreele [4572] * trunk/GSASIIimage.py (modified) Further enhancements to polarization analysis - now automatic & makes ... Thu, 17 Sep 2020 20:50:24 GMT vondreele [4571] * trunk/GSASIIimage.py (modified) * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIpwd.py (modified) Improvements to polarization stuff Thu, 17 Sep 2020 02:04:32 GMT vondreele [4570] * trunk/GSASIIimage.py (modified) * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) Implement arc mask method for determining polarization with scipy ... Sat, 12 Sep 2020 14:52:00 GMT vondreele [4569] * trunk/GSASIIimage.py (modified) cleanup a debug in image calibrate Sat, 12 Sep 2020 14:49:04 GMT vondreele [4568] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) cleanup of RollMap command Fri, 11 Sep 2020 16:02:40 GMT toby [4567] * trunk/GSASIIpwdGUI.py (modified) improve excluded region generation Fri, 11 Sep 2020 15:33:58 GMT toby [4566] * trunk/GSASIIpwdGUI.py (modified) improve excluded region generation Wed, 09 Sep 2020 21:27:24 GMT vondreele [4565] * trunk/GSASIIplot.py (modified) fix mpl 3.03 error message shift XY2 colors by one in PlotXY - ... Mon, 07 Sep 2020 20:11:02 GMT vondreele [4564] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) add Roll Map capability to Map Peaks menu - only for charge flip maps Mon, 07 Sep 2020 14:31:55 GMT vondreele [4563] * trunk/GSASIIphsGUI.py (modified) fix off-by-one error in Map Peaks Invert Map Peaks operation; NB: ... Sun, 06 Sep 2020 21:23:42 GMT vondreele [4562] * trunk/GSASIIspc.py (modified) remove extra equivalent positions from dist/angle list - needed %1. ... Fri, 04 Sep 2020 21:26:07 GMT vondreele [4561] * trunk/GSASIIphsGUI.py (modified) invoke scrooling set for atom editing Thu, 03 Sep 2020 19:48:39 GMT vondreele [4560] * trunk/GSASIImath.py (modified) fix *.10 error in XScattDen - used in reflectometry & small angle ... Thu, 03 Sep 2020 15:27:26 GMT vondreele [4559] * trunk/GSASIIphsGUI.py (modified) fix OnTransform - the ending block of code needed to be tabbed out ... Wed, 02 Sep 2020 16:17:08 GMT vondreele [4558] * trunk/GSASIIphsGUI.py (modified) include vacancies in atom-atom table of bond limits - needed by ... Tue, 01 Sep 2020 19:51:32 GMT vondreele [4557] * trunk/GSASIIstrMath.py (modified) fix math error in StructureFactorDeriv - sym op matrix needed ... Mon, 31 Aug 2020 14:10:01 GMT vondreele [4556] * trunk/ElementTable.py (modified) * trunk/GSASIIphsGUI.py (modified) Change color of As from "blue" to "orange". Implement a sampling ... Thu, 27 Aug 2020 13:06:18 GMT vondreele [4554] * trunk/GSASIIdataGUI.py (modified) remove CR from Notebook entries Fri, 21 Aug 2020 15:17:41 GMT vondreele [4553] * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) reimplement new PeaksUnique code & make more general. Now finds ... Fri, 21 Aug 2020 12:41:12 GMT vondreele [4552] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIplot.py (modified) reinstate wx.CallAfter for ReloadFromGPX - needed to get reload to ... Thu, 20 Aug 2020 21:24:29 GMT toby [4551] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIscriptable.py (modified) fix name wipe out bug Thu, 20 Aug 2020 19:11:06 GMT vondreele [4550] * trunk/GSASIIphsGUI.py (modified) use AddToNotebook for Fourier map creation Wed, 19 Aug 2020 19:53:47 GMT vondreele [4549] * trunk/GSASIIdataGUI.py (modified) * trunk/exports/G2export_csv.py (modified) use AddToNotebook in Refine - remove wx.CallAfter for self.ReloadFrom ... Wed, 19 Aug 2020 13:14:36 GMT vondreele [4548] * trunk/GSASIIIO.py (modified) * trunk/GSASIIdataGUI.py (modified) * trunk/exports/G2export_csv.py (modified) Add csv exporter for reflectometry data Tue, 18 Aug 2020 17:46:54 GMT vondreele [4547] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIpwdGUI.py (modified) AddToNotebook routine added & implemented for peakfit & charge flipping Mon, 17 Aug 2020 21:29:46 GMT vondreele [4546] * trunk/GSASIIimage.py (modified) * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIplot.py (modified) correct ring intensities for polarization in IntStrSta fill missing ... Mon, 17 Aug 2020 16:35:11 GMT vondreele [4545] * trunk/GSASIIimage.py (modified) fix IntStrSta to return list not zip Mon, 17 Aug 2020 15:49:59 GMT vondreele [4544] * trunk/GSASIIplot.py (modified) add the other ToolBarDraw Mon, 17 Aug 2020 14:13:26 GMT vondreele [4543] * trunk/GSASIIplot.py (modified) test change G2plot for mpl 3.3 Fri, 14 Aug 2020 22:24:27 GMT vondreele [4542] * trunk/GSASIImath.py (modified) revert PeaksUniqure back to version <#4473 so it properly does sorted ... Thu, 13 Aug 2020 15:57:57 GMT vondreele [4541] * trunk/GSASIIplot.py (modified) * trunk/GSASIIpwdGUI.py (modified) minor fixes to PDF plotting Wed, 12 Aug 2020 18:54:34 GMT vondreele [4540] * trunk/GSASIIplot.py (modified) * trunk/GSASIIpwdGUI.py (modified) another fix to Instrument Parameters plot for pink peaks remove ... Fri, 07 Aug 2020 13:50:02 GMT vondreele [4539] * trunk/GSASIIIO.py (modified) * trunk/GSASIIplot.py (modified) remove commented old/bad code in G2IO fix Instrument parameters ... Thu, 06 Aug 2020 14:59:46 GMT vondreele [4538] * trunk/GSASIIIO.py (modified) * trunk/GSASIIplot.py (modified) fix integer divide issue in ComputeArc in G2plot remove Spotmask is ... Wed, 05 Aug 2020 18:12:21 GMT vondreele [4537] * trunk/GSASIIplot.py (modified) comment out 'Spotmask missing' message remove aspect='equal' from a ... Sun, 02 Aug 2020 13:16:06 GMT vondreele [4536] * trunk/GSASIIpwd.py (modified) * trunk/GSASIIpwdGUI.py (modified) supply missing default pink derivatives fix "Bravais lattice" issues ... Fri, 31 Jul 2020 14:04:06 GMT vondreele [4535] * trunk/GSASIImath.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIstrMath.py (modified) fix X-label for pink powder patterns revert incomm. mag. str. factor ... Tue, 28 Jul 2020 03:42:49 GMT toby [4534] * trunk/GSASIIctrlGUI.py (modified) * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIddataGUI.py (modified) * trunk/GSASIIobj.py (modified) * trunk/GSASIIpy3.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMain.py (modified) implement variable limits; show cell under Dij vals Thu, 23 Jul 2020 17:28:51 GMT vondreele [4533] * trunk/GSASIImath.py (modified) * trunk/GSASIIstrMath.py (modified) fix math error in incomm mag str fctr stuff $ expand equations Thu, 23 Jul 2020 01:50:13 GMT toby [4532] * trunk/GSASIIctrlGUI.py (modified) * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIpwd.py (modified) refactor ViewLSparms; more fullrmc work Tue, 21 Jul 2020 17:41:16 GMT vondreele [4531] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIlattice.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIstrMath.py (modified) remove q-plot & d-plot options for Limits PWDR plot some cleanup in ... Tue, 21 Jul 2020 15:24:11 GMT toby [4530] * trunk/GSASIIplot.py (modified) guess at clearly erroneous line for grace output Mon, 20 Jul 2020 22:53:17 GMT toby [4529] * trunk/GSASIIplot.py (modified) add show option to publish plot Mon, 20 Jul 2020 14:35:19 GMT vondreele [4528] * trunk/GSASIIplot.py (modified) change "if 'mag' ..." to "if 'magline' ..." in various places in ... Sun, 19 Jul 2020 16:21:51 GMT toby [4527] * trunk/GSASIIpwd.py (modified) * trunk/GSASIIscriptable.py (modified) limits bug in hist.EditSimulated; add default for do_refinements(); ... Sun, 19 Jul 2020 15:04:30 GMT vondreele [4526] * trunk/GSASIImath.py (modified) * trunk/GSASIIspc.py (modified) fix to incomm. moment display Sat, 18 Jul 2020 22:00:20 GMT toby [4525] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) add reload to draw atoms Sat, 18 Jul 2020 20:26:12 GMT toby [4524] * trunk/GSASIIphsGUI.py (modified) rigid bodies: error on duplicate name; update draw atoms after adding ... Fri, 17 Jul 2020 17:51:18 GMT toby [4523] * trunk/GSASIIddataGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIpwd.py (modified) more fullrmc work, but not done Thu, 16 Jul 2020 14:30:05 GMT vondreele [4522] * trunk/exports/G2export_csv.py (modified) * trunk/exports/G2export_examples.py (modified) * trunk/exports/G2export_pwdr.py (modified) fix exporters for pink reflection data Wed, 15 Jul 2020 20:08:04 GMT vondreele [4521] * trunk/GSASIImpsubs.py (modified) * trunk/GSASIIobj.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIstrMath.py (modified) * trunk/testDeriv.py (modified) complete pink Rietveld refinement fix problem with weights enhance ... Tue, 14 Jul 2020 21:08:55 GMT vondreele [4520] * trunk/GSASIImpsubs.py (modified) * trunk/GSASIIpwd.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMath.py (modified) some corrections for pink beam single peak fits implement pink beam ... Mon, 13 Jul 2020 18:27:06 GMT vondreele [4519] * trunk/GSASIIfpaGUI.py (modified) * trunk/GSASIIlattice.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIpwd.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIstrMath.py (modified) G2fpaGUI - minor cleanup G2lattice - test on 'T' instead of 'C' so ... Mon, 13 Jul 2020 01:59:57 GMT toby [4518] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIpwd.py (modified) * trunk/GSASIIscriptable.py (modified) start on fullrmc update for 5.0; fix for rigid bodies Wed, 08 Jul 2020 14:23:37 GMT toby [4517] * trunk/GSASIIscriptable.py (modified) doc build issues Tue, 07 Jul 2020 23:08:08 GMT toby [4516] * trunk/GSASIIplot.py (modified) doc build problem Tue, 07 Jul 2020 22:42:34 GMT toby [4515] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIpath.py (modified) * trunk/GSASIIscriptable.py (modified) new capability: general parameter access Mon, 06 Jul 2020 18:35:05 GMT vondreele [4514] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIstrMath.py (modified) remove non gpx entries from recent projects continue work on magnetism Fri, 03 Jul 2020 15:18:43 GMT vondreele [4513] * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIstrMath.py (modified) fix problem after setting 1-->2 transformation. A block of code ... Mon, 29 Jun 2020 13:25:28 GMT vondreele [4512] * trunk/imports/G2img_1TIF.py (modified) fix to tif image importer Sat, 27 Jun 2020 19:46:20 GMT toby [4511] * trunk/GSASIIdataGUI.py (modified) fix rename, make sure hist is not used Sat, 27 Jun 2020 15:57:38 GMT vondreele [4510] * trunk/GSASIIspc.py (modified) fix magnetic site sym bug Wed, 24 Jun 2020 16:42:12 GMT vondreele [4509] * trunk/GSASIIstrIO.py (modified) fix texture refinement error - incorrect azimuth values Tue, 23 Jun 2020 22:41:27 GMT vondreele [4508] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) fix the select tab menu list in phases Tue, 23 Jun 2020 00:55:35 GMT vondreele [4507] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) alow plotting of non integer HKL planes make planes partially ... Sun, 21 Jun 2020 13:49:20 GMT toby [4505] * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) more fixes to Res RB edit; tweak RB atom assignment displays Sun, 21 Jun 2020 01:47:15 GMT toby [4504] * trunk/GSASIIphsGUI.py (modified) restore error for deleting RB atoms Sun, 21 Jun 2020 00:39:59 GMT toby [4503] * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) fix problems wit multiple instances of a single RB and with adding ... Sat, 20 Jun 2020 21:08:34 GMT vondreele [4502] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) Eliminate the Hatom radius & moved Bond search factor to be under ... Sat, 20 Jun 2020 15:37:16 GMT vondreele [4501] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) move void plotting to be before slice plotting so that voids behind ... Fri, 19 Jun 2020 21:58:08 GMT toby [4500] * trunk/GSASIIphsGUI.py (modified) Add sphere of atoms arround view point; show distances to peaks and ... Fri, 19 Jun 2020 21:19:13 GMT toby [4499] * trunk/GSASIIctrlGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) Add sphere of atoms arround view point; show distances to peaks and ...