# # ChangeLog for trunk/GSASIIphsGUI.py # # Generated by Trac 1.0.13 # Jun 28, 2025 2:14:06 AM Thu, 08 Sep 2016 14:09:47 GMT vondreele [2461] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIspc.py (modified) * trunk/imports/G2img_GE.py (modified) magnetic space group determination done Sat, 03 Sep 2016 14:48:00 GMT vondreele [2458] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIspc.py (modified) Mag space group work Thu, 25 Aug 2016 20:10:53 GMT vondreele [2451] * trunk/GSASIIgrid.py (modified) * trunk/GSASIIphsGUI.py (modified) Add target atom type selection to sphere of enclosure 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 ... Thu, 18 Aug 2016 18:29:15 GMT vondreele [2431] * trunk/GSASII.py (modified) * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIIctrls.py (modified) * trunk/GSASIIddataGUI.py (modified) * trunk/GSASIIgrid.py (modified) * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIrestrGUI.py (modified) fix problem with wxPython 3.x with changing text entry focus. Needed ... Thu, 18 Aug 2016 15:42:43 GMT vondreele [2430] * trunk/GSASIIlattice.py (modified) * trunk/GSASIIphsGUI.py (modified) force limits from d-min to be within allowed range & less than 168.5 ... Wed, 17 Aug 2016 21:55:08 GMT vondreele [2429] * trunk/GSASIIphsGUI.py (modified) force powder histograms limits to conform to dmin choice for Pawley ... Sun, 14 Aug 2016 13:49:47 GMT vondreele [2423] * trunk/GSASIIphsGUI.py (modified) fix bug in charge flip phase plotting Thu, 04 Aug 2016 01:14:47 GMT vondreele [2406] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIspc.py (modified) * trunk/imports/G2phase.py (modified) * trunk/imports/G2pwd_BrukerRAW.py (modified) change spin flip from red/black to -1/1 Fri, 29 Jul 2016 20:52:31 GMT vondreele [2401] * trunk/GSASIIIO.py (modified) * trunk/GSASIIctrls.py (modified) * trunk/GSASIIpath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIspc.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMath.py (modified) * trunk/binwin2.7/fellipse.pyd (modified) * trunk/binwin2.7/histogram2d.pyd (modified) * trunk/binwin2.7/histosigma2d.pyd (modified) * trunk/binwin2.7/pack_f.pyd (modified) * trunk/binwin2.7/polymask.pyd (modified) * trunk/binwin2.7/pydiffax.pyd (modified) * trunk/binwin2.7/pypowder.pyd (modified) * trunk/binwin2.7/pyspg.pyd (modified) * trunk/binwin2.7/pytexture.pyd (modified) * trunk/binwin64-2.7/fellipse.pyd (modified) * trunk/binwin64-2.7/histogram2d.pyd (modified) * trunk/binwin64-2.7/histosigma2d.pyd (modified) * trunk/binwin64-2.7/pack_f.pyd (modified) * trunk/binwin64-2.7/polymask.pyd (modified) * trunk/binwin64-2.7/pydiffax.pyd (modified) * trunk/binwin64-2.7/pypowder.pyd (modified) * trunk/binwin64-2.7/pyspg.pyd (modified) * trunk/binwin64-2.7/pytexture.pyd (modified) * trunk/fsource/pyspg.for (modified) * trunk/imports/G2phase.py (modified) begin adding magnetism; change space group fortran code modify ... Tue, 07 Jun 2016 19:30:49 GMT vondreele [2311] * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) add tracking of 5 user selected reflection phases during charge ... Sat, 21 May 2016 18:19:32 GMT vondreele [2285] * trunk/GSASIIphsGUI.py (modified) * trunk/imports/G2phase_INS.py (added) * trunk/imports/G2pwd_Pnn.py (added) add importer for Shelx .ins files also one for old GSAS Pnn powder ... Thu, 19 May 2016 19:47:49 GMT vondreele [2278] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) add calculation of total fault density to Layers GUI trap another ... Mon, 16 May 2016 20:22:10 GMT vondreele [2276] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) show plotted layer names on plot status bar Sat, 14 May 2016 14:45:23 GMT vondreele [2272] * trunk/GSASII.py (modified) * trunk/GSASIIctrls.py (modified) * trunk/GSASIIgrid.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) add Stacking Faults II tutorial add a Copy Phase command to Layers ... Wed, 11 May 2016 17:46:39 GMT vondreele [2249] * trunk/GSASIIctrls.py (modified) * trunk/GSASIIphsGUI.py (modified) fix bug in stacking fault dialog add stacking fault-I to tutorial menu Mon, 09 May 2016 18:20:19 GMT vondreele [2245] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIstrIO.py (modified) add a line to the layer GUI informing lack of refinement capability ... Sat, 07 May 2016 17:14:10 GMT vondreele [2243] * trunk/GSASIIphsGUI.py (modified) put Dx,Dy & Dz into future stacking fault parameters Fri, 06 May 2016 18:57:25 GMT vondreele [2242] * trunk/GSASIIgrid.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) change default stack inst to Gaussian provide labels for plots of ... Mon, 02 May 2016 19:38:44 GMT vondreele [2237] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) Add a useful print in stacking simulations trap PyAssertionErrors & ... Mon, 02 May 2016 17:09:11 GMT vondreele [2236] * trunk/GSASIIphsGUI.py (modified) * trunk/fsource/pydiffax.for (modified) allow delete last layer & fraction input for stacking probability Mon, 02 May 2016 03:46:45 GMT toby [2234] * trunk/GSASII.py (modified) * trunk/GSASIIgrid.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) implement code to select appropriate tree time when a plot tab is ... Sun, 01 May 2016 01:37:25 GMT vondreele [2233] * trunk/GSASIIlattice.py (modified) * trunk/GSASIIphsGUI.py (modified) force transposed phase atoms to be in unit cell modify structure ... Fri, 29 Apr 2016 13:30:58 GMT vondreele [2230] * trunk/GSASIIphsGUI.py (modified) comment out the Atoms Rotate menu option - might be ill conceived Thu, 28 Apr 2016 18:40:56 GMT vondreele [2229] * trunk/GSASIIgrid.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIpwd.py (modified) Add Atom Rotate option Mon, 18 Apr 2016 16:26:02 GMT vondreele [2218] * trunk/GSASIIlattice.py (modified) * trunk/GSASIIphsGUI.py (modified) work on cell transformations - fills new cell with unique atom set, ... Fri, 15 Apr 2016 19:57:57 GMT vondreele [2216] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) implement import layer from another gpx file Thu, 14 Apr 2016 20:44:39 GMT vondreele [2212] * trunk/GSASIIgrid.py (modified) * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIlattice.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) Implement 'abc*' as one of the 'Common' cell transformations. ... Wed, 13 Apr 2016 20:16:53 GMT vondreele [2211] * trunk/GSASIIgrid.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIpwdGUI.py (modified) some work on Transform Phase menu item. uncomment the if ... Tue, 12 Apr 2016 20:51:56 GMT vondreele [2210] * trunk/GSASIIphsGUI.py (modified) Add messages for completion of simulations Tue, 12 Apr 2016 20:46:54 GMT vondreele [2209] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) Add symmetry (inversion thru ccenter!) to transition probability ... Tue, 12 Apr 2016 14:04:10 GMT vondreele [2207] * trunk/GSASIIphsGUI.py (modified) * trunk/binwin2.7/DIFFaX.exe (deleted) * trunk/binwin64-2.7 (modified) * trunk/binwin64-2.7/DIFFaX.exe (deleted) remove DIFFaX.exe from bin directories - no longer used Mon, 11 Apr 2016 21:27:22 GMT vondreele [2206] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIpwd.py (modified) * trunk/binwin2.7/fellipse.pyd (modified) * trunk/binwin2.7/histogram2d.pyd (modified) * trunk/binwin2.7/histosigma2d.pyd (modified) * trunk/binwin2.7/pack_f.pyd (modified) * trunk/binwin2.7/polymask.pyd (modified) * trunk/binwin2.7/pydiffax.pyd (modified) * trunk/binwin2.7/pypowder.pyd (modified) * trunk/binwin2.7/pyspg.pyd (modified) * trunk/binwin2.7/pytexture.pyd (modified) * trunk/binwin64-2.7/fellipse.pyd (modified) * trunk/binwin64-2.7/histogram2d.pyd (modified) * trunk/binwin64-2.7/histosigma2d.pyd (modified) * trunk/binwin64-2.7/pack_f.pyd (modified) * trunk/binwin64-2.7/polymask.pyd (modified) * trunk/binwin64-2.7/pydiffax.pyd (modified) * trunk/binwin64-2.7/pypowder.pyd (modified) * trunk/binwin64-2.7/pyspg.pyd (modified) * trunk/binwin64-2.7/pytexture.pyd (modified) * trunk/fsource/pydiffax.for (modified) find errors in stacking fortran - replace both binwin directories ... Fri, 08 Apr 2016 20:10:04 GMT vondreele [2205] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/binwin2.7/fellipse.pyd (modified) * trunk/binwin2.7/histogram2d.pyd (modified) * trunk/binwin2.7/histosigma2d.pyd (modified) * trunk/binwin2.7/pack_f.pyd (modified) * trunk/binwin2.7/polymask.pyd (modified) * trunk/binwin2.7/pydiffax.pyd (modified) * trunk/binwin2.7/pypowder.pyd (modified) * trunk/binwin2.7/pyspg.pyd (modified) * trunk/binwin2.7/pytexture.pyd (modified) * trunk/binwin64-2.7/fellipse.pyd (modified) * trunk/binwin64-2.7/histogram2d.pyd (modified) * trunk/binwin64-2.7/histosigma2d.pyd (modified) * trunk/binwin64-2.7/pack_f.pyd (modified) * trunk/binwin64-2.7/polymask.pyd (modified) * trunk/binwin64-2.7/pydiffax.pyd (modified) * trunk/binwin64-2.7/pypowder.pyd (modified) * trunk/binwin64-2.7/pyspg.pyd (modified) * trunk/binwin64-2.7/pytexture.pyd (modified) * trunk/fsource/DIFFaXsubs/DIFFaX.inc (modified) * trunk/fsource/DIFFaXsubs/DIFFaXsubs.for (modified) implement sequential stacking fault calculations with plotting fix PlotXY Thu, 07 Apr 2016 19:49:58 GMT vondreele [2204] * trunk/GSASIIphsGUI.py (modified) fix stacking fault initial setup bug Wed, 06 Apr 2016 21:14:46 GMT vondreele [2197] * trunk/GSASII.py (modified) * trunk/GSASIIgrid.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIpwd.py (modified) * trunk/binwin2.7/fellipse.pyd (modified) * trunk/binwin2.7/histogram2d.pyd (modified) * trunk/binwin2.7/histosigma2d.pyd (modified) * trunk/binwin2.7/pack_f.pyd (modified) * trunk/binwin2.7/polymask.pyd (modified) * trunk/binwin2.7/pypowder.pyd (modified) * trunk/binwin2.7/pyspg.pyd (modified) * trunk/binwin2.7/pytexture.pyd (modified) * trunk/binwin64-2.7/fellipse.pyd (modified) * trunk/binwin64-2.7/histogram2d.pyd (modified) * trunk/binwin64-2.7/histosigma2d.pyd (modified) * trunk/binwin64-2.7/pack_f.pyd (modified) * trunk/binwin64-2.7/polymask.pyd (modified) * trunk/binwin64-2.7/pydiffax.pyd (modified) * trunk/binwin64-2.7/pypowder.pyd (modified) * trunk/binwin64-2.7/pyspg.pyd (modified) * trunk/binwin64-2.7/pytexture.pyd (modified) * trunk/fsource/DIFFaXsubs/DIFFaXsubs.for (modified) * trunk/fsource/pydiffax.for (modified) replace pyd files for binwin2.7 & binwin64-2.7 implement new ... Sun, 03 Apr 2016 19:30:21 GMT vondreele [2195] * trunk/GSASIIgrid.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIpwd.py (modified) remove selected area image multiplier - not necessary fix image ... Fri, 01 Apr 2016 17:39:12 GMT vondreele [2191] * trunk/GSASIIgrid.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIpwd.py (modified) * trunk/binwin2.7/fellipse.pyd (modified) * trunk/binwin2.7/histogram2d.pyd (modified) * trunk/binwin2.7/histosigma2d.pyd (modified) * trunk/binwin2.7/pack_f.pyd (modified) * trunk/binwin2.7/polymask.pyd (modified) * trunk/binwin2.7/pypowder.pyd (modified) * trunk/binwin2.7/pyspg.pyd (modified) * trunk/binwin2.7/pytexture.pyd (modified) * trunk/binwin64-2.7/fellipse.pyd (modified) * trunk/binwin64-2.7/histogram2d.pyd (modified) * trunk/binwin64-2.7/histosigma2d.pyd (modified) * trunk/binwin64-2.7/pack_f.pyd (modified) * trunk/binwin64-2.7/polymask.pyd (modified) * trunk/binwin64-2.7/pydiffax.pyd (modified) * trunk/binwin64-2.7/pypowder.pyd (modified) * trunk/binwin64-2.7/pyspg.pyd (modified) * trunk/binwin64-2.7/pytexture.pyd (modified) * trunk/fsource/DIFFaXsubs/DIFFaX.inc (modified) * trunk/fsource/DIFFaXsubs/DIFFaXsubs.for (modified) * trunk/fsource/pydiffax.for (modified) reduce printing from DIFFaX routines - new fortran binaries fix bug ... Thu, 31 Mar 2016 20:17:43 GMT vondreele [2187] * trunk/GSASIIctrls.py (modified) * trunk/GSASIIgrid.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIpwd.py (modified) * trunk/makeBat.py (modified) Modify the Cite please banners to add small angle & DIFFaX references ... Fri, 25 Mar 2016 15:36:47 GMT vondreele [2184] * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIpwd.py (modified) * trunk/GSASIIstrIO.py (modified) fix problems in adding atoms, etc for 'faulted' phases in the regular ... Thu, 24 Mar 2016 14:58:40 GMT vondreele [2183] * trunk/GSASIIgrid.py (modified) * trunk/GSASIIimage.py (modified) * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIpwd.py (modified) fix General - atomic wt. now updated on isotope change add new ... Wed, 23 Mar 2016 13:56:54 GMT vondreele [2182] * trunk/GSASIIgrid.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIpwd.py (modified) change selected area diffr multiplier to be pwrs of 2 change layer ... Mon, 21 Mar 2016 18:29:43 GMT vondreele [2181] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) remove stray print from G2plot cleanup stacking sequence part of ... Thu, 17 Mar 2016 20:00:50 GMT vondreele [2177] * trunk/GSASIIgrid.py (modified) * trunk/GSASIIphsGUI.py (modified) add ranges to Sadp plots Thu, 17 Mar 2016 19:34:19 GMT vondreele [2176] * trunk/GSASIIphsGUI.py (modified) add some labels to selected area plots Thu, 17 Mar 2016 18:52:26 GMT vondreele [2175] * trunk/GSASIIgrid.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIpwd.py (modified) modify DIFFaXDialog - more parameters add selected are plot as a ... Wed, 16 Mar 2016 18:25:24 GMT vondreele [2174] * trunk/GSASII.py (modified) * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIpwd.py (modified) fix image integrate and integrate all with dark & background images ... Tue, 15 Mar 2016 20:07:56 GMT vondreele [2172] * trunk/GSASIIgrid.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIpwd.py (modified) add new dialog for DIFFaX controls (now empty) fix layer pair ... Mon, 14 Mar 2016 14:13:28 GMT vondreele [2170] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIpwd.py (modified) fix isotope problem for atyoms with no "Nat. Abund." add scale & ... Sat, 12 Mar 2016 21:46:58 GMT vondreele [2167] * trunk/GSASIIIO.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIpwd.py (modified) clean up of stacking fault stuff Fri, 11 Mar 2016 20:29:20 GMT vondreele [2166] * trunk/GSASIIIO.py (modified) * trunk/GSASIIgrid.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIpwd.py (modified) add GetMeanWave to G2math to return Ka-bar more work on Stacking ... Tue, 08 Mar 2016 22:08:27 GMT vondreele [2165] * trunk/GSASIIgrid.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) stacking fault plots now OK add new menu item - 'simulate' Mon, 07 Mar 2016 21:03:10 GMT vondreele [2163] * trunk/GSASIIIO.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) plotting of stacking layers, some stacking GUI changes Fri, 04 Mar 2016 20:41:06 GMT vondreele [2162] * trunk/GSASIIphsGUI.py (modified) oops fix Fri, 04 Mar 2016 20:34:44 GMT vondreele [2161] * trunk/GSASIIIO.py (modified) * trunk/GSASIIgrid.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/imports/G2pwd_FP.py (modified) Add GUI for layer stacking structures - almost complete; new phase ... Fri, 19 Feb 2016 21:58:52 GMT vondreele [2154] * trunk/GSASIIddataGUI.py (modified) * trunk/GSASIIgrid.py (modified) * trunk/GSASIIlattice.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIstrIO.py (modified) remove range restriction on LGmix - inhibited doing refinements do ... Thu, 28 Jan 2016 19:20:39 GMT vondreele [2138] * trunk/GSASIIgrid.py (modified) * trunk/GSASIIlattice.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/imports/G2sfact.py (modified) Add a Use data menu item in the phase Data tab to allow global ... Fri, 22 Jan 2016 16:10:43 GMT vondreele [2132] * trunk/GSASII.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIpwd.py (modified) * trunk/exports/G2export_csv.py (modified) * trunk/exports/G2export_examples.py (modified) more rationalization of FWHM calculations Thu, 07 Jan 2016 18:40:19 GMT vondreele [2116] * trunk/GSASIIgrid.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/imports/G2phase.py (modified) change error message about 'X' space groups! add Transform stub in ... Wed, 06 Jan 2016 16:14:21 GMT vondreele [2113] * trunk/GSASII.py (modified) * trunk/GSASIIctrls.py (modified) * trunk/GSASIIphsGUI.py (modified) better cleanup when main window is closed add FlagSetDialog class & ... Mon, 04 Jan 2016 19:36:49 GMT vondreele [2111] * trunk/GSASIIindex.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIstrMath.py (modified) fix to mod vec edit & search comment out unused StructureFactorDerv ... Sun, 03 Jan 2016 18:40:04 GMT vondreele [2110] * trunk/GSASIIgrid.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMath.py (modified) add menu item for global setting of wave vary parameters - TBD split ... Sun, 27 Dec 2015 04:22:09 GMT toby [2109] * trunk/GSASII.py (modified) * trunk/GSASIIIO.py (modified) * trunk/GSASIIctrls.py (modified) * trunk/GSASIIgrid.py (modified) * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/config_example.py (modified) * trunk/exports/G2export_CIF.py (modified) Andrey's enhancement: keep track of last GPX, import & export ... Fri, 18 Dec 2015 19:52:47 GMT vondreele [2100] * trunk/Exercises/CF Xray single crystal (added) * trunk/GSASIIctrls.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/help/CF Xray single crystal (added) add CFXraySingleCrystal to list of tutorials fix bug in AtomInsert - ... Fri, 18 Dec 2015 16:58:57 GMT vondreele [2097] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIstrMath.py (modified) name fix in AtomTypeSelect - remove ( & ) split StructureFactorDeriv ... Wed, 02 Dec 2015 20:02:03 GMT vondreele [2077] * trunk/GSASII.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) refactor wave data display to do one atom at a time instead of a long GUI Tue, 01 Dec 2015 18:23:23 GMT vondreele [2075] * trunk/GSASII.py (modified) * trunk/GSASIIddataGUI.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIspc.py (modified) * trunk/GSASIIstrMath.py (modified) explicit plot destroy when GSAS2 closes work on scrolling on phase ... Wed, 25 Nov 2015 20:19:24 GMT vondreele [2070] * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMath.py (modified) remove extraneous argument from G2mth.posFourier work on ... Sat, 21 Nov 2015 21:10:57 GMT vondreele [2064] * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIstrIO.py (modified) more fixed to SS modulation display & Refine listing Sat, 21 Nov 2015 19:28:15 GMT vondreele [2063] * trunk/GSASIIphsGUI.py (modified) typo - bad indent Sat, 21 Nov 2015 15:45:03 GMT vondreele [2062] * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIobj.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIspc.py (modified) * trunk/GSASIIstrIO.py (modified) exclude non variable SS parms from constraint lists define ZigZag & ... Fri, 13 Nov 2015 21:46:35 GMT vondreele [2050] * trunk/GSASII.py (modified) * trunk/GSASIIindex.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/imports/G2phase.py (modified) include Bank no in Instrument parameters - no check yet expand range ... Fri, 06 Nov 2015 17:44:24 GMT vondreele [2040] * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIstrMath.py (modified) * trunk/imports/G2phase.py (modified) * trunk/imports/G2sfact_CIF.py (modified) make sure XSC is reflection import default Type convert Biso to Uiso ... Mon, 02 Nov 2015 21:36:00 GMT vondreele [2039] * trunk/GSASIIphsGUI.py (modified) * trunk/imports/G2phase.py (modified) * trunk/imports/G2phase_CIF.py (modified) remove "crenelType" from SS atom data - won't be needed implement ... Thu, 29 Oct 2015 21:35:34 GMT toby [2036] * trunk/GSASIIctrls.py (modified) * trunk/GSASIIgrid.py (modified) * trunk/GSASIIphsGUI.py (modified) roll back 2033 Thu, 29 Oct 2015 17:44:21 GMT toby [2033] * trunk/GSASIIctrls.py (modified) * trunk/GSASIIgrid.py (modified) * trunk/GSASIIphsGUI.py (modified) change a few imports for RTFD Wed, 28 Oct 2015 13:44:11 GMT vondreele [2025] * trunk/GSASIIindex.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIspc.py (modified) Fri, 16 Oct 2015 16:12:39 GMT vondreele [2009] * trunk/GSASIIgrid.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIpwd.py (modified) remove 4Dfourier menu from Wave Data page (best done from General ... Wed, 14 Oct 2015 19:59:50 GMT vondreele [2005] * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIstrMath.py (modified) add print every 100 refl. in structurefactorderv routines fix atom ... Thu, 08 Oct 2015 21:09:47 GMT vondreele [1993] * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIstrMath.py (modified) numerical derivatives for x modulations - work but slow show density ... Tue, 06 Oct 2015 19:53:02 GMT vondreele [1988] * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIrestrGUI.py (modified) * trunk/GSASIIstrMath.py (modified) fix atom id problem in AddRestraints refactor Modulation & ... Tue, 29 Sep 2015 20:04:45 GMT vondreele [1981] * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) fixes to modulation plots & 3D & 4D Fourier map processing Thu, 24 Sep 2015 21:34:39 GMT vondreele [1978] * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMath.py (modified) fix to update reflections in HKLplot remove ZigZag from ... Fri, 28 Aug 2015 14:25:44 GMT vondreele [1964] * trunk/GSASIIindex.py (modified) * trunk/GSASIIphsGUI.py (modified) fix bug in atomadd for SS structures make sure ComboBoxes are ... Thu, 27 Aug 2015 15:09:04 GMT vondreele [1963] * trunk/GSASIIphsGUI.py (modified) fix wx 3.x issue with ComboBox & nonstandard SSpace group symbols Fri, 21 Aug 2015 19:57:01 GMT vondreele [1958] * trunk/GSASIIgrid.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIspc.py (modified) * trunk/GSASIIstrMath.py (modified) add r-values by SS index add a fade for frac modulation of atoms in ... Fri, 14 Aug 2015 20:08:55 GMT vondreele [1957] * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIspc.py (modified) * trunk/GSASIIstrMath.py (modified) work on SS structure factors some refactoring of SS special pos code ... Mon, 10 Aug 2015 14:58:17 GMT vondreele [1953] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIspc.py (modified) code simplification in FillUnitCell & MoveToUnitCell fix error in GenAtom Fri, 07 Aug 2015 16:54:12 GMT vondreele [1951] * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIspc.py (modified) implement drawing of incommensurate structures - live variation wrt ... Fri, 24 Jul 2015 19:55:09 GMT vondreele [1947] * trunk/GSASIIlattice.py (modified) * trunk/GSASIIphsGUI.py (modified) do export of pole figures & inverse pole figures as csv files (can be ... Thu, 23 Jul 2015 20:36:38 GMT vondreele [1945] * trunk/GSASII.py (modified) * trunk/GSASIIctrls.py (modified) * trunk/GSASIIlattice.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIpwdGUI.py (modified) fix another new histo in new phase error some cleanup in texture ... Wed, 22 Jul 2015 21:14:29 GMT vondreele [1944] * trunk/GSASIIctrls.py (modified) * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIstrIO.py (modified) add G2HistDataDialog for editing e.g. orientation angles over all ... Tue, 21 Jul 2015 15:44:07 GMT vondreele [1940] * trunk/GSASIIphsGUI.py (modified) use atom types in H-atom add; cleanup HydId dict when H-atoms deleted Tue, 21 Jul 2015 15:11:25 GMT vondreele [1939] * trunk/GSASIIphsGUI.py (modified) change atom naming conventions - remove '()' and H atoms are numbered ... Tue, 21 Jul 2015 14:50:12 GMT vondreele [1938] * trunk/GSASIIphsGUI.py (modified) H atoms now inserted into Atom list after their attchment (C, N or O) Mon, 20 Jul 2015 15:17:44 GMT vondreele [1936] * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) Add a printed "score" for unique peaks determination Add "2-theta" ... Mon, 20 Jul 2015 14:25:46 GMT vondreele [1935] * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) apply Uiso (equiv) for H-atom generation/update revise H-atom ... Fri, 17 Jul 2015 16:37:24 GMT vondreele [1933] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIpwdGUI.py (modified) remove old reflection style patches in G2phsGUI & G2plot fix hkl & ... Thu, 16 Jul 2015 19:27:12 GMT vondreele [1931] * trunk/GSASII.py (modified) * trunk/GSASIIphsGUI.py (modified) Autoupdate of atom drawing table and drawing after LS refinement and ... Thu, 16 Jul 2015 18:37:20 GMT vondreele [1930] * trunk/GSASIIgrid.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) allow exclude atoms from H-atom position calcs. hydrogen add ...