# # ChangeLog for trunk # # Generated by Trac 1.0.13 # Jul 4, 2025 11:55:33 AM Thu, 16 Jul 2020 14:30:05 GMT vondreele [4522] * trunk/exports/G2export_csv.py (modified) * trunk/exports/G2export_examples.py (modified) * trunk/exports/G2export_pwdr.py (modified) fix exporters for pink reflection data Wed, 15 Jul 2020 20:08:04 GMT vondreele [4521] * trunk/GSASIImpsubs.py (modified) * trunk/GSASIIobj.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIstrMath.py (modified) * trunk/testDeriv.py (modified) complete pink Rietveld refinement fix problem with weights enhance ... Tue, 14 Jul 2020 21:08:55 GMT vondreele [4520] * trunk/GSASIImpsubs.py (modified) * trunk/GSASIIpwd.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMath.py (modified) some corrections for pink beam single peak fits implement pink beam ... Mon, 13 Jul 2020 18:27:06 GMT vondreele [4519] * trunk/GSASIIfpaGUI.py (modified) * trunk/GSASIIlattice.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIpwd.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIstrMath.py (modified) G2fpaGUI - minor cleanup G2lattice - test on 'T' instead of 'C' so ... Mon, 13 Jul 2020 01:59:57 GMT toby [4518] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIpwd.py (modified) * trunk/GSASIIscriptable.py (modified) start on fullrmc update for 5.0; fix for rigid bodies Wed, 08 Jul 2020 14:23:37 GMT toby [4517] * trunk/GSASIIscriptable.py (modified) doc build issues Tue, 07 Jul 2020 23:08:08 GMT toby [4516] * trunk/GSASIIplot.py (modified) doc build problem Tue, 07 Jul 2020 22:42:34 GMT toby [4515] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIpath.py (modified) * trunk/GSASIIscriptable.py (modified) new capability: general parameter access Mon, 06 Jul 2020 18:35:05 GMT vondreele [4514] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIstrMath.py (modified) remove non gpx entries from recent projects continue work on magnetism Fri, 03 Jul 2020 15:18:43 GMT vondreele [4513] * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIstrMath.py (modified) fix problem after setting 1-->2 transformation. A block of code ... Mon, 29 Jun 2020 13:25:28 GMT vondreele [4512] * trunk/imports/G2img_1TIF.py (modified) fix to tif image importer Sat, 27 Jun 2020 19:46:20 GMT toby [4511] * trunk/GSASIIdataGUI.py (modified) fix rename, make sure hist is not used Sat, 27 Jun 2020 15:57:38 GMT vondreele [4510] * trunk/GSASIIspc.py (modified) fix magnetic site sym bug Wed, 24 Jun 2020 16:42:12 GMT vondreele [4509] * trunk/GSASIIstrIO.py (modified) fix texture refinement error - incorrect azimuth values Tue, 23 Jun 2020 22:41:27 GMT vondreele [4508] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) fix the select tab menu list in phases Tue, 23 Jun 2020 00:55:35 GMT vondreele [4507] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) alow plotting of non integer HKL planes make planes partially ... Sun, 21 Jun 2020 13:49:20 GMT toby [4505] * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) more fixes to Res RB edit; tweak RB atom assignment displays Sun, 21 Jun 2020 01:47:15 GMT toby [4504] * trunk/GSASIIphsGUI.py (modified) restore error for deleting RB atoms Sun, 21 Jun 2020 00:39:59 GMT toby [4503] * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) fix problems wit multiple instances of a single RB and with adding ... Sat, 20 Jun 2020 21:08:34 GMT vondreele [4502] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) Eliminate the Hatom radius & moved Bond search factor to be under ... Sat, 20 Jun 2020 15:37:16 GMT vondreele [4501] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) move void plotting to be before slice plotting so that voids behind ... Fri, 19 Jun 2020 21:58:08 GMT toby [4500] * trunk/GSASIIphsGUI.py (modified) Add sphere of atoms arround view point; show distances to peaks and ... Fri, 19 Jun 2020 21:19:13 GMT toby [4499] * trunk/GSASIIctrlGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) Add sphere of atoms arround view point; show distances to peaks and ... Fri, 19 Jun 2020 02:32:02 GMT toby [4498] * trunk/GSASIIIO.py (modified) * trunk/GSASIIctrlGUI.py (modified) cleanup errors and cruft noted in spyder Thu, 18 Jun 2020 23:44:24 GMT toby [4496] * trunk/GSASIIctrlGUI.py (modified) pkg new versions of fullrmc support packages Thu, 18 Jun 2020 17:03:52 GMT vondreele [4495] * trunk/GSASIIplot.py (modified) Improve lighting for unit cell box & view point cross Thu, 18 Jun 2020 15:10:00 GMT vondreele [4494] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) make voids permanent,add show options for map & voids, draw voids as ... Thu, 18 Jun 2020 13:07:24 GMT vondreele [4493] * trunk/GSASIIphsGUI.py (modified) strip valences from atoms in RMCProfile & fullrmc - both are blind to ... Thu, 18 Jun 2020 01:46:08 GMT vondreele [4492] * trunk/GSASIIIO.py (modified) * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIIctrlGUI.py (modified) * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIexprGUI.py (modified) * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) cleanup here & there Wed, 17 Jun 2020 22:46:20 GMT toby [4491] * trunk/GSASIIIntPDFtool.py (modified) * trunk/GSASIIctrlGUI.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/GSASIIpwdGUI.py (modified) Add VoidMap; change min/max in ValidatedTextCtrl to xmin/xmax; new ... Wed, 17 Jun 2020 17:58:02 GMT vondreele [4490] * trunk/GSASIIddataGUI.py (modified) replace all single value TextCtrl with ValidatedTextCtrl; remove thus ... Tue, 16 Jun 2020 15:23:33 GMT vondreele [4489] * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIspc.py (modified) further fixup of incommensurate mag moment drawings. Now correct. Tue, 16 Jun 2020 14:39:08 GMT vondreele [4488] * trunk/GSASIImath.py (modified) * trunk/GSASIIspc.py (modified) * trunk/GSASIIstrMath.py (modified) another try at incommensurate magnetic SF; fix bug in plotting mag ... Sat, 13 Jun 2020 20:50:13 GMT toby [4487] * install/bootstrap.py (modified) * trunk/GSASIIpath.py (modified) * trunk/GSASIIphsGUI.py (modified) abort on Complete Molecule optional; bypass decode error Sat, 13 Jun 2020 18:50:27 GMT vondreele [4486] * trunk/GSASIIplot.py (modified) fix status bar atom label problem when picking atoms from drawing Sat, 13 Jun 2020 14:44:53 GMT vondreele [4485] * trunk/GSASIImath.py (modified) * trunk/GSASIIspc.py (modified) fix plotting of BNS centered modulated magnetic moment plotting Sat, 13 Jun 2020 01:41:52 GMT vondreele [4484] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) fix setting RB thermal to 'None' replace call to ... Fri, 12 Jun 2020 19:19:25 GMT vondreele [4483] * trunk/GSASIImath.py (modified) * trunk/GSASIIpwd.py (modified) * trunk/GSASIIpwdGUI.py (modified) fix to MagMod /2 error fix bug in HKLF reflection list Fri, 12 Jun 2020 14:06:19 GMT toby [4482] * trunk/GSASIIplot.py (modified) 2nd mpl.cm.ScalarMappable() fix Thu, 11 Jun 2020 21:06:22 GMT vondreele [4481] * trunk/GSASIIctrlGUI.py (modified) Fix appearance of FileDialog in GetImportFile - CenterOnParent() ... Thu, 11 Jun 2020 02:27:35 GMT toby [4480] * trunk/GSASIIplot.py (modified) fix colormap problem w/3.0.x Thu, 11 Jun 2020 02:10:31 GMT toby [4479] * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) changes to unique map peaks & plotting after selection Tue, 09 Jun 2020 16:00:17 GMT vondreele [4476] * trunk/GSASIIphsGUI.py (modified) * trunk/imports/G2phase_CIF.py (modified) make sure if Uij = None that it is zero, type is 'I' and that after a ... Tue, 09 Jun 2020 15:36:09 GMT vondreele [4475] * trunk/imports/G2phase_CIF.py (modified) fix prolem in cif files where anisotropic params are as ...... --> ... Tue, 09 Jun 2020 15:11:45 GMT vondreele [4474] * trunk/exports/G2export_CIF.py (modified) fix minor cif problem - order of "source" and "neutron" Tue, 09 Jun 2020 03:24:17 GMT toby [4473] * trunk/GSASIIctrlGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) allow adding of rigid body atoms to atoms list Mon, 08 Jun 2020 15:57:13 GMT vondreele [4471] * trunk/GSASIIphsGUI.py (modified) restore FillCoordSphere from G2 version #4379 Mon, 08 Jun 2020 15:02:59 GMT vondreele [4470] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) Add option to fade by 50% symmetry equivalent atoms, bonds, etc. in ... Sun, 07 Jun 2020 01:28:26 GMT toby [4469] * trunk/GSASIIplot.py (modified) * trunk/GSASIIscriptable.py (modified) * trunk/help/gsasII.html (modified) fix for TOF simulation scripting; improve peak selection status line ... Sat, 06 Jun 2020 20:52:50 GMT toby [4468] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) add status msg on Shift-Click atom selection; error message with RB ... Sat, 06 Jun 2020 20:02:17 GMT vondreele [4467] * trunk/GSASIIplot.py (modified) fix map peak selection Sat, 06 Jun 2020 19:46:07 GMT vondreele [4466] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIindex.py (modified) * trunk/GSASIIpwd.py (modified) change Pawley refinement menu items for setting/unsetting refine ... Fri, 05 Jun 2020 15:26:26 GMT vondreele [4465] * trunk/GSASIIplot.py (modified) fix atom selection from figure for Atoms - now it the same as for ... Fri, 05 Jun 2020 14:32:31 GMT vondreele [4464] * trunk/GSASIIphsGUI.py (modified) reinstate the old FindCoordination as FindCoordination2 - was used in ... Thu, 04 Jun 2020 20:40:34 GMT toby [4463] * trunk/GSASIIplot.py (modified) * trunk/help/gsasII.html (modified) Redisplay structure after a shift-click to select an atom; update ... Thu, 04 Jun 2020 14:57:58 GMT vondreele [4462] * trunk/GSASIIphsGUI.py (modified) fix bug for not installed RMCProfile Wed, 03 Jun 2020 22:09:35 GMT vondreele [4461] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIpwd.py (modified) fix bugs in MakeRMC6f & MakefullrmcPDB Tue, 02 Jun 2020 18:04:03 GMT vondreele [4460] * trunk/GSASIIphsGUI.py (modified) correct plots for RMCProfile & fullrmc S(Q) & G(R) plots. Tue, 02 Jun 2020 01:13:23 GMT vondreele [4456] * trunk/GSASIIspc.py (modified) * trunk/GSASIIstrMain.py (modified) fix bug in SytSym Tue, 02 Jun 2020 00:16:10 GMT toby [4455] * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIspc.py (modified) fix and speed up the "Complete Molecule" command; w/o for mult calc bug Mon, 01 Jun 2020 19:12:13 GMT vondreele [4454] * trunk/GSASIIphsGUI.py (modified) allow selection by atom name (same as by type) Mon, 01 Jun 2020 18:49:42 GMT vondreele [4453] * trunk/GSASIIphsGUI.py (modified) cleanup fixes to G2pshGUI 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 ... Fri, 29 May 2020 16:31:32 GMT vondreele [4449] * trunk/GSASIIplot.py (modified) fix atom pick routine in structure drawing Fri, 29 May 2020 14:36:54 GMT toby [4448] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) add complete molecule (slow) & fix use of radii Wed, 27 May 2020 16:56:18 GMT vondreele [4447] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIpwd.py (modified) change RMCProfie chi^2 to log10 chi^2 to match fulrmc chi^2 plot fix ... Tue, 26 May 2020 19:38:22 GMT toby [4442] * install/g2complete/meta.yaml.template (modified) * install/g2full/construct.yaml.template (modified) * trunk/GSASIIphsGUI.py (modified) better atom selection; try to fix packaging bug 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 ... Tue, 26 May 2020 15:44:15 GMT vondreele [4440] * trunk/GSASIIlattice.py (modified) * trunk/GSASIIpwd.py (modified) * trunk/GSASIIspc.py (modified) fix atom draw update problem when atoms not in unit cell2Arelated ... Tue, 26 May 2020 14:34:42 GMT toby [4439] * install/g2complete/build.sh (modified) * install/g2complete/meta.yaml.template (modified) * install/g2complete/src/bootstrap.py (modified) * trunk/GSASIIpath.py (modified) bootstrap w/selected binary; update svn switch cmd; save build output Tue, 26 May 2020 02:11:33 GMT toby [4437] * Binaries/macRelink.py (moved) add fix for paths in libraries Tue, 26 May 2020 02:06:05 GMT toby [4436] * trunk/GSASIIpwdGUI.py (modified) * trunk/macRelink.py (added) add fix for paths in libraries Tue, 26 May 2020 01:57:49 GMT vondreele [4435] * trunk/GSASIIpwd.py (modified) fix MakeRMC6f for fractional atom fracs Tue, 26 May 2020 01:56:02 GMT vondreele [4434] * trunk/GSASIIlattice.py (modified) * trunk/GSASIIphsGUI.py (modified) Change Force=True for anisotropic atms in call to GenAtom in ... Mon, 25 May 2020 20:08:15 GMT toby [4433] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/exports/G2export_CIF.py (modified) fix problem where histogram has reflections, but is not in phase; ... Mon, 25 May 2020 16:07:21 GMT vondreele [4432] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIpwd.py (modified) change ifConstraint flag in Transform to False flag missing ... Sun, 24 May 2020 22:19:15 GMT toby [4431] * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIIctrlGUI.py (modified) * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) new code for locating RBs; redo GUI for RB extractor Thu, 21 May 2020 17:21:57 GMT vondreele [4430] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIpwd.py (modified) some cleanup of fullrmc stuff Thu, 21 May 2020 12:56:29 GMT toby [4429] * trunk/GSASIIdataGUI.py (modified) not that change yet Thu, 21 May 2020 12:42:24 GMT toby [4428] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIplot.py (modified) minor RB stuff in prep for new add RB code Thu, 21 May 2020 00:33:57 GMT vondreele [4427] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIpwd.py (modified) fullrmc fixes Wed, 20 May 2020 13:36:33 GMT vondreele [4426] * trunk/GSASIIrestrGUI.py (modified) fix bug in bond restraint import Sun, 17 May 2020 21:31:21 GMT vondreele [4425] * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIpwd.py (modified) * trunk/imports/G2pdf_gr.py (modified) fix generation of fullrmc pdb file for structures with partial ... Sun, 17 May 2020 18:36:19 GMT toby [4424] * trunk/GSASIIphsGUI.py (modified) fix RB selection with 1 RB Sat, 16 May 2020 18:36:48 GMT vondreele [4423] * trunk/GSASIIphsGUI.py (modified) fix to RMC stuff Sat, 16 May 2020 16:49:02 GMT vondreele [4422] * trunk/GSASIIphsGUI.py (modified) more fullrmc stuff Sat, 16 May 2020 13:55:12 GMT toby [4421] * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIIctrlGUI.py (modified) * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIlattice.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIscriptable.py (modified) add R.B. extractor; misc doc updates; plt bug after strip Hs; grid ... Sat, 16 May 2020 01:05:40 GMT vondreele [4420] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIpwd.py (modified) improvements to fullrmc interface Fri, 15 May 2020 01:25:30 GMT toby [4419] * trunk/GSASIIplot.py (modified) Allow plotting to show selected atoms; reorder some code to put ... Wed, 13 May 2020 23:58:36 GMT vondreele [4418] * trunk/GSASIIphsGUI.py (modified) change macromolecular default drawing from sticks (slow) to van der ... Tue, 12 May 2020 22:03:59 GMT vondreele [4417] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIpwd.py (modified) further enhancements of the fullrmc - GSAS-II interface; now does ... 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 ... Thu, 07 May 2020 17:17:26 GMT vondreele [4415] * trunk/GSASIIimage.py (modified) * trunk/GSASIIlattice.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIpwd.py (modified) * trunk/exports/G2export_PDB.py (modified) * trunk/imports/G2phase.py (modified) change export_PDB to handle fullrmc pdb files implement Wenqian's ... Sat, 25 Apr 2020 02:52:46 GMT toby [4413] * trunk/GSASIIobj.py (modified) * trunk/NIST_profile/atan_windowed_FP_profile.py (modified) add texture docs and fix build problem Fri, 24 Apr 2020 22:32:58 GMT toby [4412] * trunk/GSASIIdataGUI.py (modified) update tree item display after delete data tree entry Fri, 24 Apr 2020 16:27:10 GMT toby [4411] * trunk/GSASIIIO.py (modified) * trunk/GSASIIscriptable.py (modified) * trunk/exports/G2export_CIF.py (modified) bug in CIF export; misc cleanup Fri, 24 Apr 2020 16:06:35 GMT toby [4410] * trunk/GSASIIIO.py (modified) * trunk/GSASIIctrlGUI.py (modified) * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/imports/G2phase_CIF.py (modified) * trunk/imports/G2phase_GPX.py (modified) * trunk/imports/G2pwd_CIF.py (modified) * trunk/imports/G2sfact_CIF.py (modified) do much more cleanup after phase delete; refactor some importer ... Thu, 23 Apr 2020 22:53:38 GMT toby [4409] * trunk/GSASIIscriptable.py (modified) select bank for scripting simulation Wed, 22 Apr 2020 16:17:11 GMT toby [4408] * trunk/GSASIIplot.py (modified) warning for MPL 3.1 & 3.2