# # ChangeLog for trunk # # Generated by Trac 1.0.13 # Jun 17, 2025 9:48:20 AM Fri, 19 Apr 2019 15:42:41 GMT vondreele [3909] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) Add new menu item to Map Peaks - Invert peak position; inverts map ... Thu, 18 Apr 2019 21:30:44 GMT vondreele [3908] * trunk/GSASIIphsGUI.py (modified) avoid map search finding negatives unless delt-f or neutron data Thu, 18 Apr 2019 20:32:25 GMT vondreele [3907] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) add 'k' option to structure plot key box for toggle of contours Wed, 17 Apr 2019 02:39:40 GMT toby [3906] * trunk/GSASIIplot.py (modified) * trunk/GSASIIpwd.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMath.py (modified) implement fixed backgound file in Riteveld Fit; show Rietveld & peak ... Tue, 16 Apr 2019 19:36:31 GMT vondreele [3905] * trunk/GSASIIconstrGUI.py (modified) fix to atom constraints from structure transform Tue, 16 Apr 2019 18:38:46 GMT vondreele [3904] * trunk/GSASIIconstrGUI.py (modified) fix lattice parm constraint bug Tue, 16 Apr 2019 15:37:51 GMT vondreele [3903] * trunk/GSASIIphsGUI.py (modified) fix for HKLF data as well Tue, 16 Apr 2019 15:35:41 GMT vondreele [3902] * trunk/GSASIIphsGUI.py (modified) fix bug for bad PWDR/HKLF name in GetRefData - now returns None Mon, 15 Apr 2019 21:29:14 GMT vondreele [3901] * trunk/GSASIIphsGUI.py (modified) allow min resolution = 0.2A for fourier maps Mon, 15 Apr 2019 21:15:37 GMT vondreele [3900] * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) cursor now reports position/density on contour slice. Contour control ... Mon, 15 Apr 2019 15:54:57 GMT toby [3899] * trunk/GSASIIplot.py (modified) Improve changing plot labels size etc, & Tie zero and diff in ... Mon, 15 Apr 2019 03:19:02 GMT toby [3898] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIplot.py (modified) Add manual scaling of plots, allow changes to plot labels size etc, & ... Mon, 15 Apr 2019 00:52:21 GMT vondreele [3897] * trunk/GSASIIphsGUI.py (modified) remove slow warning for contour plots; it's not slow for large structures Sun, 14 Apr 2019 14:23:46 GMT vondreele [3896] * trunk/GSASIImath.py (modified) enormous speed improvement for contour plot - not dependent on map size Sat, 13 Apr 2019 13:16:12 GMT vondreele [3895] * trunk/GSASIIplot.py (modified) bit of cleanup Sat, 13 Apr 2019 13:10:41 GMT vondreele [3894] * trunk/GSASIImath.py (modified) optimize getRhos ~ 10-20% improvement is all I could manage Fri, 12 Apr 2019 20:35:08 GMT vondreele [3893] * trunk/GSASIImath.py (modified) * trunk/GSASIIplot.py (modified) remove commented lines & "improve" getRhos - more numpy oriented - ... Fri, 12 Apr 2019 17:35:16 GMT vondreele [3892] * trunk/GSASIIplot.py (modified) set "facecolor" alpha to 0.5 for contour plots; lines are now alpha=1.0 Fri, 12 Apr 2019 17:17:50 GMT vondreele [3891] * trunk/GSASIIplot.py (modified) change alpha for e-density texture to 50% - looks better than 25% Fri, 12 Apr 2019 14:30:04 GMT vondreele [3890] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) contour maps finished Fri, 12 Apr 2019 02:54:43 GMT vondreele [3889] * trunk/GSASIIplot.py (modified) contour map complete but not faded Thu, 11 Apr 2019 20:59:48 GMT vondreele [3888] * trunk/GSASIIlattice.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) provide contour plot (not finished yet) on structure drawing Wed, 10 Apr 2019 22:52:53 GMT toby [3887] * trunk/GSASIIIO.py (modified) * trunk/GSASIIstrIO.py (modified) Fix restore of seq results after crash Wed, 10 Apr 2019 14:33:05 GMT vondreele [3886] * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIstrIO.py (modified) change variable SUBGRPUOS --> SubGroups (avoid possible confusion ... Tue, 09 Apr 2019 20:30:40 GMT toby [3885] * trunk/GSASIIstrIO.py (modified) correct seq ref hist error Tue, 09 Apr 2019 19:50:49 GMT toby [3884] * trunk/GSASIIstrIO.py (modified) correct seq ref hist error Tue, 09 Apr 2019 19:32:15 GMT toby [3883] * trunk/GSASIIstrIO.py (modified) correct seq ref hist error Tue, 09 Apr 2019 17:40:30 GMT vondreele [3882] * trunk/GSASIIstrMath.py (modified) mag. incomm. str. fctr. Mon, 08 Apr 2019 20:22:13 GMT vondreele [3881] * trunk/GSASIIstrMath.py (modified) mag. str fctr. (again...) Mon, 08 Apr 2019 13:44:53 GMT vondreele [3880] * trunk/GSASIIstrMath.py (modified) mag str fctr. stuff Mon, 08 Apr 2019 02:07:37 GMT toby [3879] * trunk/GSASIIctrlGUI.py (modified) prepare for wx deprecation Sun, 07 Apr 2019 17:07:20 GMT toby [3878] * trunk/GSASIIdataGUI.py (modified) fix problems due to addition of column to SeqRes table Fri, 05 Apr 2019 20:36:26 GMT vondreele [3877] * trunk/GSASIImath.py (modified) * trunk/GSASIIstrMath.py (modified) micsf again Fri, 05 Apr 2019 16:16:51 GMT toby [3876] * trunk/GSASIIpwdGUI.py (modified) and remove from entry in tree Fri, 05 Apr 2019 16:11:25 GMT toby [3875] * trunk/GSASIIctrlGUI.py (modified) * trunk/GSASIIpwdGUI.py (modified) fix error when background PWDR is deleted Thu, 04 Apr 2019 16:25:59 GMT toby [3874] * trunk/GSASIIctrlGUI.py (modified) * trunk/GSASIIpwdGUI.py (modified) tweak column selector for small # of columns Thu, 04 Apr 2019 13:56:32 GMT toby [3873] * trunk/GSASIIIO.py (modified) * trunk/GSASIIstrIO.py (modified) trap error if unable to delete seq files Thu, 04 Apr 2019 03:55:09 GMT toby [3872] * trunk/GSASIIdataGUI.py (modified) fix seq. listing w/empty cols; add column selection when not selected ... Wed, 03 Apr 2019 22:34:18 GMT toby [3871] * trunk/GSASIIctrlGUI.py (modified) redo G2ColumnIDDialog to resize vertically Wed, 03 Apr 2019 15:59:17 GMT vondreele [3870] * trunk/GSASIIstrMath.py (modified) still mag incomm. wrong Tue, 02 Apr 2019 22:53:40 GMT toby [3869] * trunk/GSASIIIO.py (modified) * trunk/GSASIIimgGUI.py (modified) more clear working of Cancel on relocate image Tue, 02 Apr 2019 22:49:55 GMT toby [3868] * trunk/GSASIIplot.py (modified) Fix possible overwrite of PWDR children Tue, 02 Apr 2019 20:16:24 GMT vondreele [3867] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIstrMath.py (modified) modulated mag moments now ok; not sf calc Mon, 01 Apr 2019 19:13:10 GMT vondreele [3866] * trunk/GSASIImpsubs.py (modified) fix problem with multicore range error - need integer divide in ResetMP Sun, 31 Mar 2019 23:59:15 GMT vondreele [3865] * trunk/GSASIImath.py (modified) * trunk/GSASIIstrMath.py (modified) a new attempt at incommensurate mag. str. fctrs. Thu, 28 Mar 2019 19:01:07 GMT vondreele [3864] * trunk/GSASIImath.py (modified) * trunk/GSASIIstrMath.py (modified) incommensurate mgnetic str. fctr. calcs.latest attempt Thu, 28 Mar 2019 16:22:02 GMT vondreele [3863] * trunk/GSASIIdataGUI.py (modified) Fix sequential results save routines per suggestion by Ivo Alxneit Wed, 27 Mar 2019 15:33:29 GMT vondreele [3862] * trunk/GSASIIdataGUI.py (modified) Add column to sequential results table - number (0-nRows). Makes ... Mon, 25 Mar 2019 18:32:58 GMT vondreele [3861] * trunk/GSASIImath.py (modified) * trunk/GSASIIstrMath.py (modified) another try at incomm. mag. str. fctr. Fri, 22 Mar 2019 23:40:27 GMT toby [3860] * trunk/GSASIIdataGUI.py (modified) warn but continue when histogram in phase list but not in tree Fri, 22 Mar 2019 22:54:18 GMT toby [3859] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIstrMath.py (modified) Use Dij values for SeqRef table even if not varied 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