# # ChangeLog for trunk # # Generated by Trac 1.0.13 # Jun 17, 2025 9:39:10 AM 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 ... Fri, 19 Jun 2020 02:32:02 GMT toby [4498] * trunk/GSASIIIO.py (modified) * trunk/GSASIIctrlGUI.py (modified) cleanup errors and cruft noted in spyder Thu, 18 Jun 2020 23:44:24 GMT toby [4496] * trunk/GSASIIctrlGUI.py (modified) pkg new versions of fullrmc support packages Thu, 18 Jun 2020 17:03:52 GMT vondreele [4495] * trunk/GSASIIplot.py (modified) Improve lighting for unit cell box & view point cross Thu, 18 Jun 2020 15:10:00 GMT vondreele [4494] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) make voids permanent,add show options for map & voids, draw voids as ... Thu, 18 Jun 2020 13:07:24 GMT vondreele [4493] * trunk/GSASIIphsGUI.py (modified) strip valences from atoms in RMCProfile & fullrmc - both are blind to ... Thu, 18 Jun 2020 01:46:08 GMT vondreele [4492] * trunk/GSASIIIO.py (modified) * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIIctrlGUI.py (modified) * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIexprGUI.py (modified) * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) cleanup here & there Wed, 17 Jun 2020 22:46:20 GMT toby [4491] * trunk/GSASIIIntPDFtool.py (modified) * trunk/GSASIIctrlGUI.py (modified) * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIddataGUI.py (modified) * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIpwdGUI.py (modified) Add VoidMap; change min/max in ValidatedTextCtrl to xmin/xmax; new ... Wed, 17 Jun 2020 17:58:02 GMT vondreele [4490] * trunk/GSASIIddataGUI.py (modified) replace all single value TextCtrl with ValidatedTextCtrl; remove thus ... Tue, 16 Jun 2020 15:23:33 GMT vondreele [4489] * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIspc.py (modified) further fixup of incommensurate mag moment drawings. Now correct. Tue, 16 Jun 2020 14:39:08 GMT vondreele [4488] * trunk/GSASIImath.py (modified) * trunk/GSASIIspc.py (modified) * trunk/GSASIIstrMath.py (modified) another try at incommensurate magnetic SF; fix bug in plotting mag ... Sat, 13 Jun 2020 20:50:13 GMT toby [4487] * install/bootstrap.py (modified) * trunk/GSASIIpath.py (modified) * trunk/GSASIIphsGUI.py (modified) abort on Complete Molecule optional; bypass decode error Sat, 13 Jun 2020 18:50:27 GMT vondreele [4486] * trunk/GSASIIplot.py (modified) fix status bar atom label problem when picking atoms from drawing Sat, 13 Jun 2020 14:44:53 GMT vondreele [4485] * trunk/GSASIImath.py (modified) * trunk/GSASIIspc.py (modified) fix plotting of BNS centered modulated magnetic moment plotting Sat, 13 Jun 2020 01:41:52 GMT vondreele [4484] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) fix setting RB thermal to 'None' replace call to ... Fri, 12 Jun 2020 19:19:25 GMT vondreele [4483] * trunk/GSASIImath.py (modified) * trunk/GSASIIpwd.py (modified) * trunk/GSASIIpwdGUI.py (modified) fix to MagMod /2 error fix bug in HKLF reflection list Fri, 12 Jun 2020 14:06:19 GMT toby [4482] * trunk/GSASIIplot.py (modified) 2nd mpl.cm.ScalarMappable() fix Thu, 11 Jun 2020 21:06:22 GMT vondreele [4481] * trunk/GSASIIctrlGUI.py (modified) Fix appearance of FileDialog in GetImportFile - CenterOnParent() ... Thu, 11 Jun 2020 02:27:35 GMT toby [4480] * trunk/GSASIIplot.py (modified) fix colormap problem w/3.0.x Thu, 11 Jun 2020 02:10:31 GMT toby [4479] * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) changes to unique map peaks & plotting after selection Tue, 09 Jun 2020 16:00:17 GMT vondreele [4476] * trunk/GSASIIphsGUI.py (modified) * trunk/imports/G2phase_CIF.py (modified) make sure if Uij = None that it is zero, type is 'I' and that after a ... Tue, 09 Jun 2020 15:36:09 GMT vondreele [4475] * trunk/imports/G2phase_CIF.py (modified) fix prolem in cif files where anisotropic params are as ...... --> ... Tue, 09 Jun 2020 15:11:45 GMT vondreele [4474] * trunk/exports/G2export_CIF.py (modified) fix minor cif problem - order of "source" and "neutron" Tue, 09 Jun 2020 03:24:17 GMT toby [4473] * trunk/GSASIIctrlGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) allow adding of rigid body atoms to atoms list Mon, 08 Jun 2020 15:57:13 GMT vondreele [4471] * trunk/GSASIIphsGUI.py (modified) restore FillCoordSphere from G2 version #4379 Mon, 08 Jun 2020 15:02:59 GMT vondreele [4470] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) Add option to fade by 50% symmetry equivalent atoms, bonds, etc. in ... Sun, 07 Jun 2020 01:28:26 GMT toby [4469] * trunk/GSASIIplot.py (modified) * trunk/GSASIIscriptable.py (modified) * trunk/help/gsasII.html (modified) fix for TOF simulation scripting; improve peak selection status line ... Sat, 06 Jun 2020 20:52:50 GMT toby [4468] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) add status msg on Shift-Click atom selection; error message with RB ... Sat, 06 Jun 2020 20:02:17 GMT vondreele [4467] * trunk/GSASIIplot.py (modified) fix map peak selection Sat, 06 Jun 2020 19:46:07 GMT vondreele [4466] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIindex.py (modified) * trunk/GSASIIpwd.py (modified) change Pawley refinement menu items for setting/unsetting refine ... Fri, 05 Jun 2020 15:26:26 GMT vondreele [4465] * trunk/GSASIIplot.py (modified) fix atom selection from figure for Atoms - now it the same as for ... Fri, 05 Jun 2020 14:32:31 GMT vondreele [4464] * trunk/GSASIIphsGUI.py (modified) reinstate the old FindCoordination as FindCoordination2 - was used in ... Thu, 04 Jun 2020 20:40:34 GMT toby [4463] * trunk/GSASIIplot.py (modified) * trunk/help/gsasII.html (modified) Redisplay structure after a shift-click to select an atom; update ... Thu, 04 Jun 2020 14:57:58 GMT vondreele [4462] * trunk/GSASIIphsGUI.py (modified) fix bug for not installed RMCProfile Wed, 03 Jun 2020 22:09:35 GMT vondreele [4461] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIpwd.py (modified) fix bugs in MakeRMC6f & MakefullrmcPDB Tue, 02 Jun 2020 18:04:03 GMT vondreele [4460] * trunk/GSASIIphsGUI.py (modified) correct plots for RMCProfile & fullrmc S(Q) & G(R) plots. Tue, 02 Jun 2020 01:13:23 GMT vondreele [4456] * trunk/GSASIIspc.py (modified) * trunk/GSASIIstrMain.py (modified) fix bug in SytSym Tue, 02 Jun 2020 00:16:10 GMT toby [4455] * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIspc.py (modified) fix and speed up the "Complete Molecule" command; w/o for mult calc bug Mon, 01 Jun 2020 19:12:13 GMT vondreele [4454] * trunk/GSASIIphsGUI.py (modified) allow selection by atom name (same as by type) Mon, 01 Jun 2020 18:49:42 GMT vondreele [4453] * trunk/GSASIIphsGUI.py (modified) cleanup fixes to G2pshGUI Mon, 01 Jun 2020 17:40:11 GMT vondreele [4451] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIstrMain.py (modified) Add Histogram distances & angles to Phase/Atom/Compute menu fix ... Sun, 31 May 2020 17:06:22 GMT vondreele [4450] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIstrMain.py (modified) Add Histogram bonds & angles to Atoms/Compute menu - makes histogram ... Fri, 29 May 2020 16:31:32 GMT vondreele [4449] * trunk/GSASIIplot.py (modified) fix atom pick routine in structure drawing