# # ChangeLog for trunk # # Generated by Trac 1.0.13 # Jun 17, 2025 10:18:27 AM Tue, 19 Mar 2019 14:18:53 GMT toby [3858] * trunk/GSASII.py (modified) * trunk/GSASIIimage.py (modified) * trunk/docs/source/index.rst (modified) * trunk/docs/source/packages.rst (modified) stupid Py3 syntax error; docs updates Mon, 18 Mar 2019 17:09:57 GMT toby [3857] * trunk/GSASIIimage.py (modified) * trunk/GSASIIscriptable.py (modified) * trunk/docs/source/index.rst (modified) * trunk/docs/source/packages.rst (added) Fix scriptable to work w/o wx & mpl; reorg of docs Sat, 16 Mar 2019 13:46:42 GMT vondreele [3856] * trunk/GSASIIrestrGUI.py (modified) small mods to GUI for general restraints 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, 15 Mar 2019 18:50:18 GMT toby [3854] * trunk/GSASIIplot.py (modified) fix bug including zero in legend in publ. plot Fri, 15 Mar 2019 13:37:20 GMT vondreele [3853] * trunk/GSASIImath.py (modified) * trunk/GSASIIstrMath.py (modified) incomm.mag. mods Thu, 14 Mar 2019 13:33:19 GMT vondreele [3852] * trunk/GSASIIctrlGUI.py (modified) implement fix (modified) to open in G2ctrGUI as per Bo Hau Chen (Taiwan) Wed, 13 Mar 2019 21:58:05 GMT vondreele [3851] * trunk/GSASIImath.py (modified) * trunk/GSASIIstrMath.py (modified) incommensurate mag. str. fctr. agaiin - now close Mon, 11 Mar 2019 20:36:11 GMT vondreele [3850] * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIstrMath.py (modified) replace all 0 with 0. in atom insert or add routines incomm. mag. ... Mon, 11 Mar 2019 02:21:51 GMT toby [3849] * trunk/GSASIIscriptable.py (modified) * trunk/GSASIIstrIO.py (modified) finish sequential ref. via scripting; doc updates Sat, 09 Mar 2019 20:58:21 GMT vondreele [3848] * trunk/GSASIIElemGUI.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/GSASIIpwd.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIspc.py (modified) * trunk/GSASIIstrMath.py (modified) since id is a python routine which could be useful in debugging, ... Fri, 08 Mar 2019 21:59:23 GMT toby [3847] * trunk/GSASIIplot.py (modified) speed contour plotting Fri, 08 Mar 2019 21:19:10 GMT vondreele [3846] * trunk/GSASIIplot.py (modified) add plot timing for single plots 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 Fri, 08 Mar 2019 17:13:04 GMT vondreele [3844] * trunk/GSASIIscriptable.py (modified) blksize = 256 in scriptable as well Fri, 08 Mar 2019 17:07:55 GMT vondreele [3843] * trunk/GSASIIIO.py (modified) * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIscriptable.py (modified) change image integration block size to 256 from 1024 - 3x faster ... Thu, 07 Mar 2019 20:15:49 GMT vondreele [3842] * trunk/GSASIIimage.py (modified) * trunk/GSASIIimgGUI.py (modified) force number of integration bins to be divisible by 4 - solves crash ... Thu, 07 Mar 2019 19:50:32 GMT vondreele [3841] * trunk/GSASIIimage.py (modified) * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIscriptable.py (modified) fix problem if image calibrant isn't in local calibration files fix ... Thu, 07 Mar 2019 00:18:01 GMT toby [3840] * trunk/GSASIIctrlGUI.py (modified) * trunk/GSASIIscriptable.py (modified) fix scriptable read of TOF; fraction editor for wx 3.0 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 18:49:44 GMT vondreele [3837] * trunk/GSASIImath.py (modified) * trunk/GSASIIstrMath.py (modified) more on incomm. mag. str. fctr. 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 Tue, 05 Mar 2019 20:57:21 GMT vondreele [3835] * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIstrMath.py (modified) Allow constraints on modulation vector changes to incommensurate ... Mon, 04 Mar 2019 20:27:02 GMT toby [3834] * trunk/GSASIIscriptable.py (modified) set idstring for simulations as needed; thanx to Thomas Proffen Sat, 02 Mar 2019 16:11:46 GMT toby [3833] * trunk/GSASIIscriptable.py (modified) add bkg peaks to ref dict & reorg docs Fri, 01 Mar 2019 18:38:16 GMT vondreele [3832] * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIstrMath.py (modified) fix reflection list & 3D HKL plots for modulated structures Fri, 01 Mar 2019 16:32:38 GMT toby [3831] * trunk/GSASIIscriptable.py (modified) add background peaks set/control Wed, 27 Feb 2019 16:20:33 GMT vondreele [3830] * trunk/GSASIIimage.py (modified) * trunk/GSASIIspc.py (modified) * trunk/GSASIIstrMath.py (modified) modify makeRing to allow optionally a multiplier on number of steps ... Fri, 22 Feb 2019 16:14:19 GMT vondreele [3829] * trunk/GSASIIconstrGUI.py (modified) fix problem with selecting torsions in residue rigid bodies Fri, 22 Feb 2019 15:35:29 GMT toby [3828] * trunk/GSASIIIO.py (modified) * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIscriptable.py (modified) * trunk/docs/source/imports.rst (modified) * trunk/exports/G2export_CIF.py (modified) * trunk/imports/G2img_GE.py (modified) * trunk/imports/G2phase_GPX.py (modified) * trunk/imports/G2pwd_GPX.py (modified) * trunk/testDeriv.py (modified) fix cif export w/unused histogram; switch 3.x imports to pickle ... Fri, 22 Feb 2019 15:10:31 GMT vondreele [3827] * trunk/GSASIIphsGUI.py (modified) bad call to wx.FlexGridSizer in the RB torsion GUI - now fixed Thu, 21 Feb 2019 16:15:15 GMT vondreele [3826] * trunk/Absorb.py (modified) * trunk/GSASIIctrlGUI.py (modified) * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIrestrGUI.py (modified) * trunk/fprime.py (modified) * trunk/scanCCD.py (modified) * trunk/testDeriv.py (modified) * trunk/testSSymbols.py (modified) * trunk/testXNFF.py (modified) fix future problem with wx.NewId --> wx.NewIdRef Fri, 15 Feb 2019 16:43:35 GMT vondreele [3825] * trunk/GSASIIIO.py (modified) * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIpy3.py (modified) * trunk/GSASIIstrMath.py (modified) * trunk/exports/G2export_csv.py (modified) create csv exporter for small angle data - includes size distribution ... Thu, 14 Feb 2019 15:31:11 GMT vondreele [3824] * trunk/GSASIIpwdGUI.py (modified) do ResetFlatBkg for changing PDF background/container files & ... Wed, 13 Feb 2019 23:43:05 GMT toby [3823] * trunk/GSASIIobj.py (modified) * trunk/docs/source/imports.rst (modified) attempt to fix more broken doc references Wed, 13 Feb 2019 22:16:26 GMT toby [3822] * trunk/GSASIIobj.py (modified) * trunk/GSASIIscriptable.py (modified) * trunk/docs/source/imports.rst (modified) fixing a broken doc reference? Wed, 13 Feb 2019 22:11:20 GMT vondreele [3821] * trunk/GSASIImath.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIstrMath.py (modified) more changes for incommensurate mag str fctr remove GUI update after ... Wed, 13 Feb 2019 21:48:23 GMT toby [3820] * trunk/GSASIIscriptable.py (modified) implement integration in scripting Tue, 12 Feb 2019 19:03:36 GMT vondreele [3819] * trunk/GSASIIplot.py (modified) fix cursor for old wx versions Tue, 12 Feb 2019 17:58:33 GMT vondreele [3818] * trunk/GSASIImath.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIstrMath.py (modified) implement sqrt(I) plots for multiplots & contour plots - key 's' to ... Tue, 12 Feb 2019 15:27:27 GMT vondreele [3817] * trunk/GSASIIplot.py (modified) Add Setcursor utility that presents different cursors on the plot ... Mon, 11 Feb 2019 22:54:44 GMT vondreele [3816] * trunk/GSASIIplot.py (modified) Change plot cursor if zoom or pan buttons are pressed Mon, 11 Feb 2019 17:26:52 GMT toby [3815] * trunk/GSASIIfiles.py (modified) * trunk/GSASIIimage.py (modified) * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIscriptable.py (modified) Add recalibrate & more image load/set routines Sun, 10 Feb 2019 22:40:06 GMT toby [3814] * trunk/GSASIIIO.py (modified) * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIfiles.py (modified) * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIscriptable.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/config_example.py (modified) refactor to move some IO-only routines; add initial image support to ... Thu, 07 Feb 2019 18:19:13 GMT vondreele [3813] * trunk/GSASIIstrIO.py (modified) fix problem with update of modulation vector after refinement change ... Wed, 06 Feb 2019 20:11:30 GMT vondreele [3812] * trunk/GSASIIstrMath.py (modified) incommensurate mag str fctr. closer but still not right Mon, 04 Feb 2019 21:35:43 GMT toby [3811] * trunk/GSASIIscriptable.py (modified) * trunk/GSASIIstrIO.py (modified) scriptable: fix reading py2 gpx in py3 & use of multi-set instprm files Sun, 03 Feb 2019 23:05:41 GMT toby [3810] * trunk/GSASIIIO.py (modified) * trunk/GSASIIctrlGUI.py (modified) * trunk/GSASIIpwdGUI.py (modified) fix range object in GPX file; fix spurious warning on tutorial update Sun, 03 Feb 2019 16:35:00 GMT toby [3809] * trunk/GSASIIIO.py (modified) * trunk/GSASIIscriptable.py (modified) update scriptable to handle banks in data/inst files Sun, 03 Feb 2019 13:35:59 GMT vondreele [3808] * trunk/GSASIImath.py (modified) * trunk/GSASIIstrMath.py (modified) latest attempt at incommensurate mag str fctr & some cleanup of dead ends Thu, 31 Jan 2019 16:29:12 GMT toby [3807] * trunk/GSASIIdataGUI.py (modified) warn on numpy 1.16.0 Wed, 30 Jan 2019 23:15:41 GMT toby [3806] * trunk/GSASIIIO.py (modified) * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIobj.py (modified) * trunk/GSASIIstrMath.py (modified) redo parameter lookup to provide numerical deriv step size (see ... Mon, 28 Jan 2019 23:20:01 GMT vondreele [3805] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIstrMath.py (modified) fix normalization of mag moments --> Kvector add save of map peaks ... Mon, 28 Jan 2019 15:40:57 GMT vondreele [3804] * trunk/GSASIIplot.py (modified) implement grid in Instrument parms plot Mon, 28 Jan 2019 13:51:33 GMT vondreele [3803] * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMath.py (modified) fix print bug in twin refinement output a fix(?) to the alumina Uij ... Sun, 27 Jan 2019 22:30:39 GMT toby [3802] * trunk/GSASIIobj.py (modified) * trunk/GSASIIrestrGUI.py (modified) * trunk/GSASIIstrMath.py (modified) generalized restraints completed Sun, 27 Jan 2019 15:04:12 GMT vondreele [3801] * trunk/GSASIIlattice.py (modified) * trunk/GSASIIstrMath.py (modified) combine cell2AB & Gmat2AB in G2lat fixes to mag. str. fctr. math. ... Sat, 26 Jan 2019 21:46:41 GMT toby [3800] * trunk/exports/G2export_CIF.py (modified) remove duplicate _pd_proc_ls_profile_function entry Fri, 25 Jan 2019 20:59:53 GMT vondreele [3799] * trunk/GSASIIplot.py (modified) make sure plot grin is off by default Fri, 25 Jan 2019 20:34:25 GMT vondreele [3798] * trunk/GSASIIplot.py (modified) add toggle for grid lines for most plots Fri, 25 Jan 2019 17:34:38 GMT vondreele [3797] * trunk/GSASIIphsGUI.py (modified) let map peak search find negative peaks. Thu, 24 Jan 2019 18:46:07 GMT toby [3796] * trunk/exports/G2export_CIF.py (modified) fix problem of empty distance/angle table Thu, 24 Jan 2019 18:14:33 GMT vondreele [3795] * trunk/GSASIIctrlGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIspc.py (modified) * trunk/GSASIIstrMath.py (modified) fix space group & incommensurate space group displays for mag. ... Wed, 23 Jan 2019 22:59:06 GMT toby [3794] * trunk/GSASIIplot.py (modified) add routine to turn off zoom/pan Tue, 22 Jan 2019 20:05:27 GMT toby [3793] * trunk/exports/G2export_CIF.py (modified) * trunk/exports/template_phase.cif (modified) add density to CIF Tue, 22 Jan 2019 16:46:05 GMT vondreele [3792] * trunk/GSASIIstrIO.py (modified) Add density to lst output Sun, 20 Jan 2019 04:03:27 GMT toby [3791] * trunk/GSASIIconstrGUI.py (modified) cleanup constraint display more Sun, 20 Jan 2019 03:42:46 GMT toby [3790] * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIIdataGUI.py (modified) make sure off-diagonal terms that must compute as 0 are fixed Sun, 20 Jan 2019 02:38:49 GMT toby [3789] * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIIstrIO.py (modified) fix transpose error for lattice constraints Fri, 18 Jan 2019 00:46:16 GMT toby [3788] * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIImapvars.py (modified) generate cell parm constraints for magnetic cells; fix errors in ... Fri, 18 Jan 2019 00:10:20 GMT vondreele [3787] * trunk/GSASIIindex.py (modified) * trunk/GSASIIpwdGUI.py (modified) remove stray print statement fix issues with doing incommensurate ... Thu, 17 Jan 2019 20:31:32 GMT vondreele [3786] * trunk/GSASIIElem.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/imports/G2pwd_CIF.py (modified) fix problem of import ElementTable inside spyder allow import o ... Thu, 17 Jan 2019 01:09:58 GMT toby [3785] * trunk/GSASIIconstrGUI.py (modified) generate lattice constraints for mag. xform Thu, 17 Jan 2019 01:03:59 GMT toby [3784] * trunk/GSASIIconstrGUI.py (modified) generate lattice constraints for mag. xform Wed, 16 Jan 2019 13:56:58 GMT vondreele [3783] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIindex.py (modified) * trunk/GSASIIlattice.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/imports/G2phase_CIF.py (modified) * trunk/imports/G2pwd_BrukerRAW.py (modified) * trunk/imports/G2pwd_CIF.py (modified) fix Bruker read problem - checked with 1 & 2 block RAW 1.01 files ... Mon, 14 Jan 2019 04:12:05 GMT toby [3782] * trunk/GSASIIdataGUI.py (modified) enable/disable export menu items rather than menu contents Sun, 13 Jan 2019 23:33:03 GMT toby [3781] * trunk/GSASIIdataGUI.py (modified) Add seq. results exports to main Export menu; enable/disable export ... Fri, 11 Jan 2019 19:51:15 GMT toby [3780] * Tutorials/FPAfit/FPAfit.htm (modified) * Tutorials/FitPeaks/Fit Peaks.htm (modified) * Tutorials/RietPlot/PublicationPlot.htm (modified) * trunk/GSASIIctrlGUI.py (modified) * trunk/GSASIIrestrGUI.py (modified) * trunk/exports/G2export_CIF.py (modified) fix typos; error in CIF Dij reporting; improve generalized restraint GUI Fri, 11 Jan 2019 18:58:31 GMT vondreele [3779] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIimgGUI.py (modified) fix problems with image sum fix problem with samplechangerpos Thu, 10 Jan 2019 20:10:58 GMT vondreele [3778] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIpwd.py (modified) * trunk/GSASIIstrMath.py (modified) correct calculation of FWHM for TOF data & fix the alp values in the ... Wed, 09 Jan 2019 16:51:24 GMT vondreele [3777] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIstrMath.py (modified) fix wx.SAVE --> wx.FD_SAVE bug work on incommensurate magnetic ... Mon, 07 Jan 2019 22:20:55 GMT toby [3776] * trunk/GSASIIpath.py (modified) match new bootstrap option Thu, 03 Jan 2019 15:32:48 GMT vondreele [3774] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIlattice.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIpwd.py (modified) * trunk/GSASIIstrMath.py (modified) * trunk/testDeriv.py (modified) fix super indexing problem in transposeHKLF fix reflection ... Tue, 25 Dec 2018 15:55:33 GMT vondreele [3773] * trunk/GSASIIstrMath.py (modified) Uncomment lines 3534 & 3535 commented in rev 3004 - messed up Ka2 ... Mon, 24 Dec 2018 00:02:12 GMT toby [3772] * trunk/GSASIIIO.py (modified) * trunk/GSASIIexprGUI.py (modified) * trunk/GSASIIrestrGUI.py (modified) add GUI (seen in debug mode only) for general (equation specified) ... Sat, 22 Dec 2018 14:20:43 GMT vondreele [3771] * trunk/Absorb.py (modified) * trunk/fprime.py (modified) cleanup of fprime & absorb Thu, 20 Dec 2018 20:45:08 GMT vondreele [3770] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) fix limits for Crenel coeff. Fix plot of calculated waves Thu, 20 Dec 2018 16:12:53 GMT toby [3769] * trunk/GSASIIphsGUI.py (modified) GUI crash on latey entry/type Wed, 19 Dec 2018 18:50:45 GMT vondreele [3768] * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIspc.py (modified) name fix for single crystal 1D plots remove ZigZag & Block from ... Tue, 18 Dec 2018 21:07:28 GMT vondreele [3767] * trunk/GSASIIimgGUI.py (modified) * trunk/imports/G2img_1TIF.py (modified) add sample changer position as an image parameter & have it show up ... Tue, 18 Dec 2018 17:56:16 GMT vondreele [3766] * trunk/Absorb.py (added) * trunk/GSASIIdataGUI.py (modified) * trunk/fprime.py (added) Add Absorb and Fprime to the main Calculate menu Sat, 15 Dec 2018 19:42:13 GMT vondreele [3765] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIspc.py (modified) allow a selected data copy of 'newLeBail' flag - facilitates ... 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 Thu, 13 Dec 2018 16:00:16 GMT vondreele [3763] * trunk/GSASIIplot.py (modified) improvements to 1D structure factor plots - now much faster, 'q' & ... Wed, 12 Dec 2018 22:46:33 GMT vondreele [3762] * trunk/GSASIIplot.py (modified) updates to plot1D structure factors; q & d plots, F & F^2 plots, hkls ... Wed, 12 Dec 2018 20:38:33 GMT vondreele [3761] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIpwdGUI.py (modified) avoid replotting structure if atom refine flags are changed add new ... Tue, 11 Dec 2018 21:11:13 GMT vondreele [3760] * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIIstrIO.py (modified) remove AwaveType,PwaveType,FwaveType & MwaveType from constraints ... Tue, 11 Dec 2018 20:11:02 GMT vondreele [3759] * trunk/GSASIIIO.py (modified) * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIstrMath.py (modified) * trunk/config_example.py (modified) add fullIntegrate = True to configuration stuff add input control ... Mon, 10 Dec 2018 18:27:04 GMT toby [3758] * trunk/imports/G2pwd_FP.py (modified) more fullprof .dat fiddling