# # ChangeLog for trunk/GSASIIstrMain.py # # Generated by Trac 1.0.13 # Jun 28, 2025 1:38:55 AM 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 +/- ... 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 ... 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 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 Wed, 30 Dec 2020 23:53:44 GMT toby [4691] * trunk/GSASIIstrMain.py (modified) major updates to trial version of 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, 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 & ... Tue, 27 Oct 2020 21:47:16 GMT toby [4628] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMain.py (modified) fixup display of sequential refinement messages 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 ... 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 ... 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 Tue, 02 Jun 2020 01:13:23 GMT vondreele [4456] * trunk/GSASIIspc.py (modified) * trunk/GSASIIstrMain.py (modified) fix bug in SytSym 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 ... Tue, 26 May 2020 16:44:22 GMT vondreele [4441] * trunk/GSASIIspc.py (modified) * trunk/GSASIIstrMain.py (modified) cleanup of GenAtom fix Dist Angle calcs for an imported phase with ... Sat, 09 May 2020 19:14:54 GMT vondreele [4416] * trunk/GSASIIddataGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIpwd.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIstrMain.py (modified) fix 3D surface problem when changing mystrain/size axis remove ... Mon, 13 Apr 2020 01:46:57 GMT toby [4399] * trunk/GSASIIIO.py (modified) * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIImapvars.py (modified) * trunk/GSASIIobj.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIscriptable.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMain.py (modified) * trunk/imports/G2phase_CIF.py (modified) major refactoring & corrections to ISODISTORT mode import and ... Sun, 15 Mar 2020 07:57:46 GMT vondreele [4370] * trunk/GSASIIddataGUI.py (modified) * trunk/GSASIImapvars.py (modified) * trunk/GSASIIobj.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMain.py (modified) * trunk/GSASIIstrMath.py (modified) Add new parameter to Data tab - Layer DispSizerThis is intended to ... Wed, 05 Feb 2020 13:06:40 GMT vondreele [4289] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIstrMain.py (modified) * trunk/SUBGROUPS.py (modified) * trunk/exports/G2export_CIF.py (modified) * trunk/kSUBGROUPSMAG.py (modified) start on 'Compare' for comparison of bonding polyhedra between phases ... Fri, 01 Nov 2019 10:08:20 GMT vondreele [4189] * trunk/GSASIIstrMain.py (modified) revert back on progress bar change Thu, 31 Oct 2019 14:58:12 GMT vondreele [4188] * trunk/GSASIIstrMain.py (modified) try to make refine progress bar stay on top Wed, 04 Sep 2019 22:06:31 GMT toby [4136] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIobj.py (modified) * trunk/GSASIIstrMain.py (modified) * trunk/GSASIIstrMath.py (modified) fix cancel in refine dialog, tested w/wx2.8,3.0 & 4.0 Wed, 04 Sep 2019 03:29:15 GMT toby [4133] * trunk/GSASIIscriptable.py (modified) * trunk/GSASIIstrMain.py (modified) seq ref: copynext for phase parms or get from SeqRef table Mon, 26 Aug 2019 04:06:49 GMT toby [4111] * trunk/GSASIImapvars.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMain.py (modified) * trunk/help/Tutorials.html (modified) move GetPhaseData inside histogram loop so sym constraints are ... Wed, 12 Jun 2019 03:05:07 GMT toby [4021] * trunk/GSASIIctrlGUI.py (modified) * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIfiles.py (modified) * trunk/GSASIIimage.py (modified) * trunk/GSASIImpsubs.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIpwd.py (modified) * trunk/GSASIIscriptable.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMain.py (modified) * trunk/imports/G2img_1TIF.py (modified) implement filter for screen messages; start to replace print() with ... Fri, 31 May 2019 20:25:20 GMT toby [4009] * trunk/GSASIIimage.py (modified) * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIstrMain.py (modified) add convariance to recalibrate all, so esd's are computed properly ... Mon, 22 Apr 2019 03:05:23 GMT toby [3913] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIstrMain.py (modified) * trunk/makeBat.py (modified) Update Rietveld cycle-by-cycle Sat, 16 Mar 2019 00:53:57 GMT toby [3855] * trunk/GSASIIIO.py (modified) * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMain.py (modified) major speed up with very big sequential fits Fri, 08 Mar 2019 18:59:26 GMT toby [3845] * trunk/GSASIIscriptable.py (modified) * trunk/GSASIIstrMain.py (modified) more sequential timing; doc fixes for scriptable Wed, 06 Mar 2019 21:56:01 GMT vondreele [3839] * trunk/GSASIIplot.py (modified) * trunk/GSASIIstrMain.py (modified) * trunk/GSASIIstrMath.py (modified) add some timing for plot patterns - controlled by showTiming more ... Wed, 06 Mar 2019 19:03:59 GMT toby [3838] * trunk/GSASIIstrMain.py (modified) fix previous Wed, 06 Mar 2019 18:16:47 GMT toby [3836] * trunk/GSASIIplot.py (modified) * trunk/GSASIIscriptable.py (modified) * trunk/GSASIIstrMain.py (modified) add timing for SeqRef; error msg for unlinked hists in scriptable Fri, 14 Dec 2018 18:05:45 GMT vondreele [3764] * trunk/GSASIIstrMain.py (modified) * trunk/GSASIIstrMath.py (modified) fixes to nonFourier modulation & derivatives - zigzag works Sun, 02 Dec 2018 23:05:49 GMT toby [3748] * trunk/GSASIIstrMain.py (modified) add missing rigid body params to seq. ref Wed, 14 Nov 2018 20:20:09 GMT toby [3732] * trunk/GSASIImapvars.py (modified) * trunk/GSASIIstrMain.py (modified) more fixes for constraint refactor Tue, 13 Nov 2018 20:03:34 GMT toby [3731] * trunk/GSASIIstrMain.py (modified) seq ref constraint dict corrected Mon, 29 Oct 2018 21:10:08 GMT toby [3711] * trunk/GSASIIIO.py (modified) * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIImapvars.py (modified) * trunk/GSASIIobj.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMain.py (modified) * trunk/testDeriv.py (modified) major constraint update: move conflicting equivs to constraints; ... Fri, 31 Aug 2018 17:18:07 GMT vondreele [3579] * trunk/GSASIIlattice.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIstrMain.py (modified) fix transformation error for mag cells disable formation of magnetic ... Fri, 13 Jul 2018 19:44:01 GMT toby [3471] * trunk/GSASIIstrMain.py (modified) repair to "fix these"/seq. ref. code Sun, 24 Jun 2018 00:46:31 GMT toby [3447] * trunk/GSASIIIO.py (modified) * trunk/GSASIIctrlGUI.py (modified) * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIddataGUI.py (modified) * trunk/GSASIIexprGUI.py (modified) * trunk/GSASIIobj.py (modified) * trunk/GSASIIstrMain.py (modified) fix seq ref constraint numbering bug; fix use if HAP vars in PSvars & ... Tue, 29 May 2018 20:10:32 GMT vondreele [3413] * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIIstrMain.py (modified) modify RefineCore & Refine/SeqRefine to use ifSeq parameter instead ... Thu, 10 May 2018 16:43:22 GMT vondreele [3378] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIstrMain.py (modified) fix seq refine movie of structure fix hide columns in seq table - ... Wed, 09 May 2018 20:50:11 GMT vondreele [3377] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMain.py (modified) revise sequential refinement to retain previous runs & update those ... Fri, 04 May 2018 22:57:13 GMT toby [3371] * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIImapvars.py (modified) * trunk/GSASIIstrMain.py (modified) constraint fixes: implement wild-card equivalences, fix use of all ... Thu, 03 May 2018 14:25:40 GMT vondreele [3369] * trunk/GSASIIstrMain.py (modified) * trunk/imports/G2pwd_BrukerRAW.py (modified) * trunk/testDeriv.py (modified) make import Bruker raw python 3 compatible revise testDeriv & ... Sun, 18 Mar 2018 17:21:17 GMT vondreele [3318] * trunk/GSASIImath.py (modified) * trunk/GSASIIrestrGUI.py (modified) * trunk/GSASIIstrMain.py (modified) fix problem with GenAtm - now has spin flip in result. Mon, 23 Oct 2017 16:39:16 GMT vondreele [3136] * trunk/GSASIIElem.py (modified) * trunk/GSASIIElemGUI.py (modified) * trunk/GSASIIIO.py (modified) * 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/GSASIIimage.py (modified) * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIindex.py (modified) * trunk/GSASIIlattice.py (modified) * trunk/GSASIIlog.py (modified) * trunk/GSASIImapvars.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIImpsubs.py (modified) * trunk/GSASIIobj.py (modified) * trunk/GSASIIpath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIpwd.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIpy3.py (modified) * trunk/GSASIIrestrGUI.py (modified) * trunk/GSASIIsasd.py (modified) * trunk/GSASIIscriptable.py (modified) * trunk/GSASIIspc.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMain.py (modified) * trunk/GSASIIstrMath.py (modified) * trunk/ImageCalibrants.py (modified) * trunk/exports/G2export_CIF.py (modified) * trunk/exports/G2export_FIT2D.py (modified) * trunk/exports/G2export_PDB.py (modified) * trunk/exports/G2export_csv.py (modified) * trunk/exports/G2export_examples.py (modified) * trunk/exports/G2export_image.py (modified) * trunk/exports/G2export_map.py (modified) * trunk/exports/G2export_pwdr.py (modified) * trunk/exports/G2export_shelx.py (modified) * trunk/fsource/SConstruct (modified) * trunk/fsource/pack_f.for (modified) * trunk/gltext.py (modified) * trunk/imports/G2img_1TIF.py (modified) * trunk/imports/G2img_ADSC.py (modified) * trunk/imports/G2img_CBF.py (modified) * trunk/imports/G2img_CheMin.py (modified) * trunk/imports/G2img_EDF.py (modified) * trunk/imports/G2img_GE.py (modified) * trunk/imports/G2img_HDF5.py (modified) * trunk/imports/G2img_MAR.py (modified) * trunk/imports/G2img_Rigaku.py (modified) * trunk/imports/G2img_SumG2.py (modified) * trunk/imports/G2pdf_gr.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_Panalytical.py (modified) * trunk/imports/G2pwd_csv.py (modified) * trunk/imports/G2pwd_fxye.py (modified) * trunk/imports/G2pwd_rigaku.py (modified) * trunk/imports/G2pwd_xye.py (modified) * trunk/imports/G2rfd_xye.py (modified) * trunk/imports/G2sad_xye.py (modified) * trunk/imports/G2sfact.py (modified) * trunk/imports/G2sfact_CIF.py (modified) * trunk/scanCCD.py (modified) make GSAS-II python 3.6 compliant & preserve python 2.7 use;changes: ... Wed, 27 Sep 2017 20:18:40 GMT vondreele [3100] * trunk/GSASIIddataGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIstrMain.py (modified) implement fix FXU for sequential refinements Thu, 21 Sep 2017 19:42:50 GMT vondreele [3095] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIobj.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIstrMain.py (modified) * trunk/GSASIIstrMath.py (modified) * trunk/config_example.py (modified) add new confit parm: Show_timing enable editing of the Use column in ... Tue, 12 Sep 2017 15:54:45 GMT vondreele [3068] * trunk/GSASIIpy3.py (modified) * trunk/GSASIIstrMain.py (modified) * trunk/GSASIIstrMath.py (modified) fix parameter display to show nan (crashed before) trap with error ... Tue, 05 Sep 2017 21:20:31 GMT toby [3049] * trunk/GSASIIctrlGUI.py (modified) * trunk/GSASIImpsubs.py (modified) * trunk/GSASIIstrMain.py (modified) reset InitMP after SelectConfigSetting.OnApplyChanges to allow number ... Sun, 03 Sep 2017 16:18:33 GMT toby [3041] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIImpsubs.py (modified) * trunk/GSASIIobj.py (modified) * trunk/GSASIIstrMain.py (modified) * trunk/GSASIIstrMath.py (modified) * trunk/config_example.py (modified) Fully implement multiprocessing on reflection loops, but currently ... Wed, 23 Aug 2017 20:05:51 GMT odonnell [3023] * trunk/GSASIIIO.py (modified) * trunk/GSASIIctrlGUI.py (modified) * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIlog.py (modified) * trunk/GSASIIobj.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIscriptable.py (modified) * trunk/GSASIIstrMain.py (modified) * trunk/imports/G2phase.py (modified) remove wx dependency for GSASIIscriptable Tue, 15 Aug 2017 20:33:29 GMT odonnell [3007] * trunk/GSASIIscriptable.py (modified) * trunk/GSASIIstrMain.py (modified) G2Project.refine does not back up, refactored phase/histogram access, ... Fri, 11 Aug 2017 22:34:54 GMT toby [3000] * trunk (modified) * trunk/AllBinaries (copied) * trunk/GSASII.py (modified) * trunk/GSASIIIO.py (modified) * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIIctrlGUI.py (copied) * trunk/GSASIIctrls.py (deleted) * trunk/GSASIIdataGUI.py (copied) * trunk/GSASIIddataGUI.py (modified) * trunk/GSASIIexprGUI.py (modified) * trunk/GSASIIfiles.py (copied) * trunk/GSASIIgrid.py (deleted) * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIlattice.py (modified) * trunk/GSASIIlog.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIImpsubs.py (copied) * trunk/GSASIIobj.py (modified) * trunk/GSASIIpath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIpwd.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIrestrGUI.py (modified) * trunk/GSASIIscriptable.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMain.py (modified) * trunk/GSASIIstrMath.py (modified) * trunk/basinhopping.py (modified) * trunk/bindist (copied) * trunk/binlinux2.7 (deleted) * trunk/binlinux64-2.7 (deleted) * trunk/binmac2.7 (deleted) * trunk/binmac64-2.7 (deleted) * trunk/binwin2.7 (deleted) * trunk/binwin64-2.7 (deleted) * trunk/config_example.py (modified) * trunk/docs/source/GSASIIGUI.rst (modified) * trunk/docs/source/GSASIIGUIr.rst (modified) * trunk/docs/source/GSASIIscripts.rst (modified) * trunk/docs/source/conf.py (modified) * trunk/docs/source/index.rst (modified) * trunk/exports/G2export_CIF.py (modified) * trunk/exports/G2export_PDB.py (modified) * trunk/exports/G2export_examples.py (modified) * trunk/exports/G2export_map.py (modified) * trunk/gltext.py (modified) * trunk/imports/G2phase_GPX.py (modified) * trunk/testSSymbols.py (modified) make the two frame version the trunk as we hit version 3000 Sat, 08 Jul 2017 20:53:21 GMT toby [2926] * trunk/GSASIIctrls.py (modified) * trunk/GSASIIstrMain.py (modified) fix import & switch msg Sun, 02 Jul 2017 18:21:02 GMT toby [2894] * trunk/GSASIIobj.py (modified) * trunk/GSASIIstrMain.py (modified) * trunk/GSASIIstrMath.py (modified) speed derivative computation; add commented timing code Mon, 26 Jun 2017 04:23:22 GMT toby [2877] * trunk/GSASII.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIstrMain.py (modified) Plot each histogram after fitting in a sequential refinement Mon, 26 Jun 2017 02:51:06 GMT toby [2876] * trunk/GSASIIgrid.py (modified) * trunk/GSASIImapvars.py (modified) * trunk/GSASIIstrMain.py (modified) allow variables to change during seq. ref.; fix error w/unused phases Sat, 24 Jun 2017 14:33:04 GMT toby [2874] * trunk/GSASIImapvars.py (modified) * trunk/GSASIIstrMain.py (modified) Sequential refinement fixes where # of phases change Sat, 03 Jun 2017 17:23:04 GMT vondreele [2854] * trunk/GSASIIgrid.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIstrMain.py (modified) implement Hessian SVD refinement option (no Levenberg-Marquardt). ... Wed, 31 May 2017 16:13:41 GMT vondreele [2847] * trunk/GSASIImath.py (modified) * trunk/GSASIIstrMain.py (modified) * trunk/imports/G2img_1TIF.py (modified) turn off debug in TIF reader provide better(?) trap for LinAlgErrors ... Tue, 30 May 2017 21:40:30 GMT vondreele [2846] * trunk/GSASIIgrid.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIobj.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIstrMain.py (modified) implement SVD inversion (Moore Penrose invert routine) in Hessian LSQ ... Wed, 10 May 2017 14:14:10 GMT vondreele [2824] * trunk/GSASIIimage.py (modified) * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIstrMain.py (modified) * trunk/imports/G2pwd_fxye.py (modified) fix 2D strain d-zero calc set Refine dlg=None default for easier ... 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 ... 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) Fri, 17 Feb 2017 20:39:19 GMT vondreele [2713] * trunk/GSASIIstrMain.py (modified) avoid extraneous holds @ line 405 in GSASIIstrMain.py 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 ... Mon, 05 Dec 2016 04:48:59 GMT toby [2557] * trunk/GSASIIgrid.py (modified) * trunk/GSASIIstrMain.py (modified) Fix sequential refinement with not-ready histograms Tue, 22 Nov 2016 19:08:48 GMT vondreele [2546] * trunk/GSASIIElem.py (modified) * trunk/GSASIIElemGUI.py (modified) * trunk/GSASIIIO.py (modified) * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIIctrls.py (modified) * trunk/GSASIIddataGUI.py (modified) * trunk/GSASIIexprGUI.py (modified) * trunk/GSASIIgrid.py (modified) * trunk/GSASIIimage.py (modified) * trunk/GSASIIindex.py (modified) * trunk/GSASIIlattice.py (modified) * trunk/GSASIImapvars.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIobj.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIpwd.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIpy3.py (modified) * trunk/GSASIIrestrGUI.py (modified) * trunk/GSASIIsasd.py (modified) * trunk/GSASIIspc.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMain.py (modified) * trunk/GSASIIstrMath.py (modified) * trunk/imports/G2img_1TIF.py (modified) cleanup of all GSASII main routines - remove unused variables, dead ... Fri, 21 Oct 2016 19:58:47 GMT vondreele [2500] * trunk/GSASIIgrid.py (modified) * trunk/GSASIIindex.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIstrMain.py (modified) * trunk/GSASIIstrMath.py (modified) * trunk/testDeriv.py (modified) protect a dlg in DoIndexPeaks fix a lost G2frame.LimitsTable - need ... Wed, 12 Oct 2016 18:32:34 GMT vondreele [2487] * trunk/GSASIIrestrGUI.py (modified) * trunk/GSASIIstrMain.py (modified) fix unit cell search range for bond distance & angle restraints fix ... Fri, 30 Sep 2016 15:33:12 GMT vondreele [2481] * trunk/GSASII.py (modified) * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIIlattice.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIpwd.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMain.py (modified) * trunk/GSASIIstrMath.py (modified) force Transform to delete nonmagnetic atoms if phase made magnetic & ... Fri, 23 Sep 2016 18:43:24 GMT vondreele [2478] * trunk/GSASIIElem.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMain.py (modified) * trunk/GSASIIstrMath.py (modified) work up to magnetic structure factor calcs. Tue, 13 Sep 2016 14:42:05 GMT vondreele [2466] * trunk/GSASIIgrid.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIspc.py (modified) * trunk/GSASIIstrMain.py (modified) implement user entered starting Marquardt lambda value (order of ... Thu, 25 Aug 2016 17:22:04 GMT vondreele [2450] * trunk/GSASIIgrid.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMain.py (modified) fix error in matrix in getCellEsd & RetDistAngle Add new atom ... Wed, 24 Aug 2016 17:14:59 GMT vondreele [2448] * trunk/GSASIImath.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMain.py (modified) fix error in getCellEsd - bad v*mat*v inner product. Cell esds now OK Tue, 23 Aug 2016 19:46:22 GMT toby [2447] * trunk/GSASIIstrMain.py (modified) fix/cleanup 'Reverse Seq' Tue, 16 Aug 2016 17:26:57 GMT vondreele [2427] * trunk/GSASIIstrMain.py (modified) forgot one Wed, 06 Jul 2016 13:54:33 GMT vondreele [2364] * trunk/GSASIIgrid.py (modified) * trunk/GSASIIstrMain.py (modified) fix spelling of 'p::Vol' in G2grid. Mon, 16 May 2016 15:18:34 GMT vondreele [2275] * trunk/GSASII.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIstrMain.py (modified) add warning for high Levenberg-Marquardt lambda. Tue, 19 Jan 2016 15:17:05 GMT vondreele [2126] * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIlattice.py (modified) * trunk/GSASIIstrMain.py (modified) add laueUnique to G2lattice for reindexing hkls to just unique Laue ... Mon, 14 Dec 2015 18:49:34 GMT vondreele [2091] * trunk/GSASIIplot.py (modified) * trunk/GSASIIstrMain.py (modified) fix phase name problem with '(' and ')' Mon, 23 Nov 2015 22:03:43 GMT vondreele [2067] * trunk/GSASIImath.py (modified) * trunk/GSASIIstrMain.py (modified) * trunk/GSASIIstrMath.py (modified) Refactor SS modulation & deriv functions - split nonHKLM part from ... Mon, 23 Nov 2015 14:49:17 GMT vondreele [2066] * trunk/GSASIIstrMain.py (modified) fix problem displaying sym. ops. for triclinic Thu, 18 Jun 2015 18:25:47 GMT vondreele [1896] * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMain.py (modified) * trunk/GSASIIstrMath.py (modified) add auto constraint for TwinFr sum = 1.0 fix TwinFr derivative - now ... Thu, 11 Jun 2015 21:20:44 GMT vondreele [1886] * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMain.py (modified) * trunk/GSASIIstrMath.py (modified) refactor StructureFactor2 & StructureFactorDerv for twinning - deriv ... Thu, 14 May 2015 15:31:16 GMT vondreele [1852] * trunk/GSASIIctrls.py (modified) * trunk/GSASIIgrid.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMain.py (modified) addmtexture analysis tutorial to list in G2ctrls remove Clear ... Thu, 07 May 2015 21:20:21 GMT vondreele [1841] * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMain.py (modified) small fix in ExportCells seqRefine now ignores phase texture Mon, 04 May 2015 21:44:41 GMT vondreele [1835] * trunk/GSASIIddataGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIstrMain.py (modified) * trunk/GSASIIstrMath.py (modified) * trunk/testDeriv.py (modified) fix problem with deleting/inserting data into phases fix plot ... Wed, 29 Apr 2015 17:22:48 GMT toby [1819] * trunk/GSASIImapvars.py (modified) * trunk/GSASIIstrMain.py (modified) fix constraints for all test cases Tue, 28 Apr 2015 19:49:55 GMT toby [1818] * trunk/GSASIImapvars.py (modified) * trunk/GSASIIstrMain.py (modified) fix immediate constraint problem; need to double check on skipped ... Mon, 27 Apr 2015 21:55:12 GMT vondreele [1813] * trunk/GSASIIobj.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMain.py (modified) * trunk/GSASIIstrMath.py (modified) revise GSAS-II exception handling - traps user aborts & I hope the ... Mon, 27 Apr 2015 18:22:06 GMT vondreele [1812] * trunk/GSASII.py (modified) * trunk/GSASIIstrMain.py (modified) * trunk/GSASIIstrMath.py (modified) * trunk/imports/G2phase_GPX.py (modified) make new ranId for phases imported from gpx files eliminate all ... Tue, 21 Apr 2015 17:16:53 GMT vondreele [1800] * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMain.py (modified) * trunk/GSASIIstrMath.py (modified) show no. space group extinct reflections in HKLF data - rejected from ... Fri, 17 Apr 2015 16:50:01 GMT vondreele [1792] * trunk/GSASII.py (modified) * trunk/GSASIIddataGUI.py (modified) * trunk/GSASIIlattice.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIstrMain.py (modified) * trunk/GSASIIstrMath.py (modified) remove Exceptions from seqRefine; now returns & makes Message dialog ... Wed, 08 Apr 2015 16:42:52 GMT vondreele [1782] * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMain.py (modified) * trunk/GSASIIstrMath.py (modified) * trunk/exports/G2export_CIF.py (modified) fix display of fixed wavelength selection show no. user rejected ... Tue, 31 Mar 2015 17:44:58 GMT vondreele [1772] * trunk/GSASIIddataGUI.py (modified) * trunk/GSASIIgrid.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIstrMain.py (modified) fix a copy flags error in DData add Compute average for columns in ... Mon, 30 Mar 2015 18:39:46 GMT vondreele [1770] * trunk/GSASII.py (modified) * trunk/GSASIIIO.py (modified) * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIIctrls.py (modified) * trunk/GSASIIddataGUI.py (modified) * trunk/GSASIIexprGUI.py (modified) * trunk/GSASIIgrid.py (modified) * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIstrMain.py (modified) * trunk/GSASIIstrMath.py (modified) moved MultipleChoicesDialog and SingleChoiceDialog from G2grid to G2ctrls