# # ChangeLog for trunk # # Generated by Trac 1.0.13 # Jun 17, 2025 9:28:51 AM Sat, 13 Feb 2021 16:12:59 GMT vondreele [4816] * trunk/GSASIIphsGUI.py (modified) fix crash in RepaintRBInfo for Vector RBs Sat, 13 Feb 2021 15:41:56 GMT vondreele [4815] * trunk/GSASIIphsGUI.py (modified) fix problem of shifting RB origin; changed atom fractions! Sat, 13 Feb 2021 02:29:48 GMT toby [4814] * trunk/GSASIIstrIO.py (modified) Add 'V' option (vector only) for rigid body fitting -- cleanup Fri, 12 Feb 2021 21:11:08 GMT toby [4813] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIstrIO.py (modified) Add 'V' option (vector only) for rigid body fitting Fri, 12 Feb 2021 19:58:06 GMT vondreele [4812] * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) Add Cycle XYZ button on residue RB GUI & add description to help text ... Fri, 12 Feb 2021 16:59:21 GMT toby [4811] * trunk/GSASIIctrlGUI.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) more wx4.1 & help button fixes; fix OnLeave if called when a window ... Fri, 12 Feb 2021 15:51:39 GMT vondreele [4810] * trunk/GSASIIindex.py (modified) * trunk/GSASIIlattice.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIspc.py (modified) fix depreciation warning in G2indx.findMV fix numpy round bug in ... Wed, 10 Feb 2021 21:49:46 GMT toby [4809] * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIobj.py (modified) * trunk/GSASIIphsGUI.py (modified) display more Residue rigid body info; better docs Wed, 10 Feb 2021 18:26:29 GMT vondreele [4808] * trunk/FormFactors.py (modified) Correct values in Compton table as pointed out by Laszlo Temleitner. Tue, 09 Feb 2021 16:29:39 GMT vondreele [4807] * trunk/GSASIIplot.py (modified) improvement to excluded region operation - now will immediately ... Mon, 08 Feb 2021 21:32:39 GMT vondreele [4806] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIplot.py (modified) remove bigSizer from UpdatePWHKPlot - use mainSizer = vertical box ... Mon, 08 Feb 2021 20:37:16 GMT toby [4805] * trunk/G2compare.py (modified) * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIIpwdGUI.py (modified) start replacing dataWindow.GetSizer with .SetSizer since Sizer could ... Mon, 08 Feb 2021 02:03:04 GMT toby [4804] * trunk/GSASIIplot.py (modified) fix change in MPL posy & posx to nonpositive Mon, 08 Feb 2021 01:35:35 GMT toby [4803] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIpwdGUI.py (modified) don't reuse dataWindow sizer for background or PWDR; plotting: reset ... Sat, 06 Feb 2021 16:39:39 GMT vondreele [4802] * trunk/GSASIIIO.py (modified) upon integration add Dark, Background & Gain map info to Comments Sat, 06 Feb 2021 04:14:23 GMT toby [4801] * trunk/G2compare.py (modified) * trunk/GSASIIctrlGUI.py (modified) * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIddataGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) Cleanup deleted hists in Phase/data; improve help button location; ... Wed, 03 Feb 2021 17:50:38 GMT toby [4800] * trunk/GSASII.py (modified) * trunk/GSASIIlog.py (modified) * trunk/GSASIImpsubs.py (modified) * trunk/GSASIIpwd.py (modified) * trunk/ReadMarCCDFrame.py (modified) * trunk/docs/source/GSASIIGUIr.rst (modified) * trunk/docs/source/GSASIIutil.rst (modified) finish up docs cleanups Wed, 03 Feb 2021 17:25:36 GMT toby [4799] * trunk/GSASIIctrlGUI.py (modified) work on docs Wed, 03 Feb 2021 17:13:40 GMT toby [4798] * trunk/GSASIIctrlGUI.py (modified) work on docs Wed, 03 Feb 2021 17:05:41 GMT toby [4797] * trunk/GSASIIctrlGUI.py (modified) work on docs Wed, 03 Feb 2021 16:59:11 GMT vondreele [4796] * trunk/GSASIIimgGUI.py (modified) patch for missing 'Gain map' data item Wed, 03 Feb 2021 16:54:16 GMT toby [4795] * trunk/GSASIIctrlGUI.py (modified) work on docs Wed, 03 Feb 2021 16:45:21 GMT toby [4794] * trunk/GSASIIctrlGUI.py (modified) * trunk/GSASIIplot.py (modified) work on docs Wed, 03 Feb 2021 16:32:14 GMT toby [4793] * trunk/GSASIIplot.py (modified) * trunk/docs/source/index.rst (modified) work on docs Tue, 02 Feb 2021 17:01:51 GMT toby [4792] * trunk/GSASIIindex.py (modified) * trunk/GSASIIlattice.py (modified) check in changes to allow cctbx to use !DoIndexPeaks and !refinePeaks Tue, 02 Feb 2021 15:37:33 GMT toby [4791] * trunk/GSASIIindex.py (modified) * trunk/GSASIIlattice.py (modified) * trunk/docs/source/index.rst (modified) * trunk/docs/source/indices.rst (added) docs chapter numbering Mon, 01 Feb 2021 23:06:20 GMT vondreele [4790] * trunk/GSASIIplot.py (modified) fix aspect for hkl plots - reflections now circles independent of ... Mon, 01 Feb 2021 19:36:50 GMT toby [4789] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIImath_new.py (deleted) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIpwd.py (modified) * trunk/GSASIIstrMain.py (modified) * trunk/docs/source/index.rst (modified) * trunk/fprime.py (modified) switch to new HessianLSQ; Ouch#4 msg in GUI; misc wx4.1 fixes; docs ... Sun, 31 Jan 2021 19:31:58 GMT vondreele [4788] * trunk/GSASIIplot.py (modified) a bit more cleanup of toolbar Sat, 30 Jan 2021 00:14:00 GMT vondreele [4787] * trunk/GSASIIplot.py (modified) cleanup of toolbar handling - for mpl 3.3.2 at least. remove ... Thu, 28 Jan 2021 19:05:18 GMT vondreele [4786] * trunk/GSASIIplot.py (modified) use set_box_aspect to make 3D plot scales correct. one in four ... Wed, 27 Jan 2021 21:27:25 GMT toby [4785] * trunk/G2compare.py (modified) * trunk/GSASIIctrlGUI.py (modified) new table for text w/sorting Tue, 26 Jan 2021 22:54:52 GMT toby [4784] * trunk/help/gsasII.html (modified) more help prose Tue, 26 Jan 2021 18:48:52 GMT toby [4783] * trunk/GSASIIctrlGUI.py (modified) * trunk/GSASIIddataGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIscriptable.py (modified) * trunk/GSASIIstrMain.py (modified) * trunk/exports/G2export_CIF.py (modified) * trunk/help/gsasII.html (modified) wx4.1 updates; new CIF data item; scripting: peak fit details ... Wed, 20 Jan 2021 20:35:12 GMT toby [4782] * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIscriptable.py (modified) scripting fix; wx4.1 RB fixes Tue, 19 Jan 2021 17:34:26 GMT vondreele [4781] * trunk/GSASIIplot.py (modified) 2D map contouring now fixed for matplotlib 3.3.2 - should work for ... Sun, 17 Jan 2021 21:12:29 GMT toby [4780] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIImath_new.py (modified) * trunk/GSASIIstrMain.py (modified) separate hard & SVD singularities, new code in GSASIImath_new.py not ... Sat, 16 Jan 2021 16:16:55 GMT vondreele [4770] * trunk/GSASIImath.py (modified) * trunk/GSASIIplot.py (modified) reinstitute final call to Hess after convergence - required for ... Thu, 14 Jan 2021 20:10:10 GMT vondreele [4767] * trunk/GSASIImath.py (modified) comment out recalculatin if LS matrix after convergence - faster LS ... Thu, 14 Jan 2021 17:15:32 GMT vondreele [4766] * trunk/GSASIIplot.py (modified) * trunk/gltext.py (modified) modify atom labeling routine to allow specified offset as ... Thu, 14 Jan 2021 04:44:23 GMT toby [4765] * trunk/GSASIIplot.py (modified) * trunk/GSASIIscriptable.py (modified) MPL 3.3.x fix; scripting docs Thu, 14 Jan 2021 03:42:03 GMT toby [4764] * trunk/GSASIIctrlGUI.py (modified) * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIddataGUI.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIscriptable.py (modified) HessianLSQ: force vars to float; small wx 4.1 fixes; scriptable: more ... Wed, 13 Jan 2021 22:34:34 GMT vondreele [4763] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/imports/G2img_1TIF.py (modified) cleanup tif import for PIL use - remove commented lines move ... Tue, 12 Jan 2021 18:47:56 GMT vondreele [4762] * trunk/GSASIIIO.py (modified) * trunk/imports/G2img_1TIF.py (modified) fix TIF importer for bad images that use PIL/pillow instead. Mon, 11 Jan 2021 19:57:49 GMT toby [4761] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIstrMain.py (modified) refinements with no variables or no cycles Mon, 11 Jan 2021 15:15:15 GMT toby [4760] * trunk/GSASIImath.py (modified) fix zero cycle bug Sun, 10 Jan 2021 23:12:01 GMT toby [4759] * install/g2full/g2postinstall.sh.template (modified) * install/setversion.py (modified) * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIImath_new.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIrestrGUI.py (modified) * trunk/exports/G2export_CIF.py (modified) wx4.1 & mpl3.3 fixes Sun, 10 Jan 2021 03:32:48 GMT toby [4756] * trunk/g2app.tar.gz (modified) * trunk/makeMacApp.py (modified) more mac work Sun, 10 Jan 2021 01:34:21 GMT toby [4754] * trunk/g2app.tar.gz (added) * trunk/makeMacApp.py (modified) new approach for MacOS AppleScripting Sat, 09 Jan 2021 14:55:00 GMT vondreele [4752] * trunk/GSASIIplot.py (modified) add scattering density to status bar when P/N are selected for ... Fri, 08 Jan 2021 21:34:01 GMT toby [4749] * install/g2full/g2postinstall.sh (modified) * install/g2full/g2postinstall.sh.template (added) * install/setversion.py (modified) * trunk/makeMacApp.py (modified) fine-tune Mac installer for 11.0 Fri, 08 Jan 2021 00:06:12 GMT toby [4741] * install/bootstrap.py (modified) * install/g2complete/build.sh.template (modified) * trunk/GSASIIpath.py (modified) deal with install python not matching target system Thu, 07 Jan 2021 23:22:35 GMT toby [4740] * install/g2complete/post-link.sh (modified) * install/g2full/g2postinstall.sh (modified) * trunk/GSASIIpath.py (modified) more install work Thu, 07 Jan 2021 21:53:49 GMT toby [4736] * install/bootstrap.py (modified) * install/g2complete/build.sh.template (modified) * install/g2complete/post-link.sh (modified) * install/g2complete/src/bootstrap.py (modified) * install/g2full/g2postinstall.sh (modified) * trunk/makeLinux.py (modified) * trunk/makeMacApp.py (modified) more install work Thu, 07 Jan 2021 17:21:15 GMT vondreele [4735] * trunk/GSASIIplot.py (modified) * trunk/GSASIIstrMain.py (modified) reduce printed precision of bon valence sum from 3 to 2. connect +/- ... Thu, 07 Jan 2021 05:19:21 GMT toby [4733] * trunk/bindist/emptydir.txt (added) add placeholder Thu, 07 Jan 2021 05:13:16 GMT toby [4732] * install (modified) * install/bootstrap.py (modified) * install/g2complete/src/bootstrap.py (modified) * install/g2full/g2postinstall.sh (modified) * install/g2pkg/src/bootstrap.py (modified) * trunk/GSASIIpath.py (modified) workarounds for missing files Thu, 07 Jan 2021 04:57:11 GMT toby [4731] * Binaries/mac_64_p3.7_n1.18/emptydir.txt (added) * trunk/AllBinaries/emptydir.txt (added) add file to binary directories so that conda-build keeps them Wed, 06 Jan 2021 21:34:14 GMT toby [4725] * trunk/makeMacApp.py (modified) add ScriptEditor save to makeMacApp Wed, 06 Jan 2021 16:43:56 GMT toby [4724] * trunk/GSASIIdataGUI.py (modified) add Big Sur patch for OpenGL.GL bug Tue, 05 Jan 2021 22:22:19 GMT vondreele [4723] * trunk/GSASIIstrMain.py (modified) * trunk/atmdata.py (modified) add automatic valence bond sum calculator to dist/angle calculator in ... Tue, 05 Jan 2021 18:36:05 GMT vondreele [4720] * trunk/GSASIIplot.py (modified) trimmed some plot k-box commands; they blocked the 2nd status line box Tue, 05 Jan 2021 15:28:53 GMT vondreele [4719] * trunk/GSASIIphsGUI.py (modified) add number/cell to site fraction apportion routine Tue, 05 Jan 2021 14:55:39 GMT toby [4717] * trunk/GSASIIdataGUI.py (modified) remove mpl 3.3 warning Mon, 04 Jan 2021 22:08:43 GMT toby [4713] * install/setversion.py (modified) * trunk/GSASIIplot.py (modified) more installer work; xmgrace enhance from Carlo Mon, 04 Jan 2021 20:46:25 GMT vondreele [4712] * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIplot.py (modified) fix plotting of image limit ellipses - wrong call (GetDetectorXY) ... Mon, 04 Jan 2021 20:28:57 GMT toby [4711] * trunk/fsource/fellipse.for (deleted) remove fellipse, not used for a long time Mon, 04 Jan 2021 16:41:46 GMT vondreele [4709] * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIstrMain.py (modified) new (BT mostly) version of HessianLSQ & additions; fix nan problem in ... Sat, 02 Jan 2021 17:46:35 GMT toby [4699] * trunk/GSASIImath_new.py (modified) * trunk/GSASIIstrMain.py (modified) improve refinement warnings Sat, 02 Jan 2021 15:34:38 GMT vondreele [4698] * trunk/GSASIIimgGUI.py (modified) forgot the 'color' change for gain map Sat, 02 Jan 2021 15:30:28 GMT vondreele [4697] * trunk/GSASIIimage.py (modified) * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIrestrGUI.py (modified) move superminusone definition to header block in G2pwdrGUI replace ... Fri, 01 Jan 2021 15:39:23 GMT toby [4695] * trunk/GSASIIpwdGUI.py (modified) back out zero xfer Thu, 31 Dec 2020 23:46:53 GMT toby [4694] * trunk/GSASIIpwdGUI.py (modified) Cell test: update reflection positions after zero or Bravais change Thu, 31 Dec 2020 22:11:48 GMT toby [4693] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIImath_new.py (modified) * trunk/GSASIIstrMain.py (modified) updates to math_new after testing; improve output Thu, 31 Dec 2020 16:50:22 GMT vondreele [4692] * trunk/GSASIIimage.py (modified) * trunk/GSASIIimgGUI.py (modified) improve gain map calc - more steps for integration step Wed, 30 Dec 2020 23:53:44 GMT toby [4691] * trunk/GSASIIstrMain.py (modified) major updates to trial version of HessianLSQ Wed, 30 Dec 2020 23:52:57 GMT toby [4690] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIImath_new.py (modified) major updates to trial version of HessianLSQ Wed, 30 Dec 2020 20:51:39 GMT vondreele [4689] * trunk/GSASIIdataGUI.py (modified) fix formatting issues on Covariance tab Wed, 30 Dec 2020 20:11:42 GMT toby [4688] * trunk/GSASIImath.py (modified) correct setting of singular vars in old HessianLSQ Wed, 30 Dec 2020 17:44:57 GMT toby [4687] * trunk/CifFile/CifFile.py (modified) * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIfiles.py (modified) * trunk/GSASIIpath.py (modified) * trunk/GSASIIplot.py (modified) * trunk/makeMacApp.py (modified) Add e key for excluded region creation; switch to hist in tree after ... Wed, 30 Dec 2020 16:43:56 GMT vondreele [4686] * trunk/GSASIIstrIO.py (modified) fix bug in fix background file handling Tue, 29 Dec 2020 18:37:31 GMT vondreele [4685] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIimage.py (modified) * trunk/GSASIIimgGUI.py (modified) Add gain map calculator Sat, 26 Dec 2020 19:28:42 GMT toby [4683] * trunk/GSASIImath_new.py (added) include trial version of G2math with reworked HessianLSQ Sat, 26 Dec 2020 06:25:59 GMT toby [4682] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIstrMain.py (modified) * trunk/GSASIIstrMath.py (modified) * trunk/help/gsasII.html (modified) improve refinement messages; help info Tue, 22 Dec 2020 22:10:35 GMT toby [4681] * trunk/GSASIIstrIO.py (modified) density format corrected Tue, 22 Dec 2020 22:09:47 GMT toby [4680] * trunk/GSASIIctrlGUI.py (modified) * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIobj.py (modified) add UTF to config.py; covariance: add reduced Chi**2 & help button; ... Thu, 17 Dec 2020 16:35:02 GMT vondreele [4674] * trunk/GSASIIpwdGUI.py (modified) fix background fitting from fixed points - now will also fir fixed ... Mon, 14 Dec 2020 18:58:19 GMT vondreele [4672] * trunk/Absorb.py (modified) * trunk/GSASIIIO.py (modified) * trunk/GSASIIIntPDFtool.py (modified) * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIIctrlGUI.py (modified) * trunk/GSASIIddataGUI.py (modified) * trunk/GSASIIexprGUI.py (modified) * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIpwd.py (modified) * trunk/GSASIIstrMath.py (modified) * trunk/fprime.py (modified) remove all wx.ALIGN from wx Add with wx.EXPAND - invalid combination ... Sat, 12 Dec 2020 19:30:31 GMT vondreele [4671] * trunk/GSASIIIO.py (modified) * trunk/GSASIIctrlGUI.py (modified) * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIimage.py (modified) * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIobj.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIpwd.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIscriptable.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMath.py (modified) * trunk/imports/G2phase_GPX.py (modified) add refinable multiplier for a fixed background; multiplier is now ... Sat, 05 Dec 2020 16:32:45 GMT vondreele [4670] * trunk/atmdata.py (modified) change Tc-98 to Tc-99 Wed, 02 Dec 2020 19:05:56 GMT vondreele [4669] * trunk/GSASIIddataGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) Add '?' help button to upper right for phase tabs General, etc. Wed, 02 Dec 2020 17:39:06 GMT toby [4668] * trunk/help/gsasII.html (modified) updates to refinement options Wed, 02 Dec 2020 17:18:21 GMT vondreele [4667] * trunk/GSASIIpwdGUI.py (modified) Add '?' help button to upper right hand corner of various PWDR data ... Tue, 01 Dec 2020 18:48:35 GMT vondreele [4666] * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMain.py (modified) Add output of resonant neutron scattering lengths for CW powder & ... Mon, 30 Nov 2020 03:43:54 GMT toby [4665] * trunk/GSASIIplot.py (modified) * trunk/GSASIIstrMath.py (modified) fix Circle() picking; remove unneeded diagnostic from LSQ error Mon, 30 Nov 2020 02:41:57 GMT toby [4664] * trunk/GSASIIdataGUI.py (modified) * trunk/help/gsasII.html (modified) pretty up Controls panel; add & update help Sat, 28 Nov 2020 20:22:35 GMT vondreele [4663] * trunk/GSASIIphsGUI.py (modified) remove unused line Sat, 28 Nov 2020 17:33:01 GMT toby [4662] * trunk/GSASIIstrMath.py (modified) improve error message Sat, 28 Nov 2020 02:48:26 GMT toby [4661] * trunk/GSASIIIO.py (modified) * trunk/GSASIIobj.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/exports/G2export_CIF.py (modified) update CIF export: add rigid body, fix bug in single xtal ref tbl; ... Mon, 23 Nov 2020 23:37:49 GMT vondreele [4660] * trunk/GSASIIElemGUI.py (modified) * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) Add atom site fraction calculator for 2 atom shared sites