# # ChangeLog for trunk/GSASIImath.py # # Generated by Trac 1.0.13 # Jun 29, 2025 2:44:17 AM Thu, 26 Dec 2019 18:50:46 GMT toby [4222] * trunk/GSASIImath.py (modified) Py3 bug fix Fri, 20 Dec 2019 05:04:03 GMT toby [4213] * trunk/GSASIIctrlGUI.py (modified) * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIindex.py (modified) * trunk/GSASIIlattice.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIpath.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIspc.py (modified) * trunk/GSASIIstrMath.py (modified) * trunk/docs/Makefile (modified) * trunk/docs/make.bat (modified) * trunk/docs/source/conf.py (modified) * trunk/imports/G2img_CBF.py (modified) * trunk/imports/G2phase.py (modified) * trunk/imports/G2rfd_xye.py (modified) * trunk/makeBat.py (modified) * trunk/testDeriv.py (modified) multiple small changes to allow docs build under 3.x Mon, 21 Oct 2019 20:17:29 GMT vondreele [4185] * trunk/GSASIImath.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIstrMath.py (modified) mag math again Sun, 20 Oct 2019 23:12:55 GMT vondreele [4183] * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) moe mg. Fri, 18 Oct 2019 20:01:27 GMT vondreele [4182] * trunk/GSASIImath.py (modified) * trunk/GSASIIstrMath.py (modified) mag. str. fctr. changes Fri, 11 Oct 2019 00:54:43 GMT vondreele [4176] * trunk/GSASIImath.py (modified) best mag ss sf calc for DyMn6Ge6 Tue, 01 Oct 2019 14:21:28 GMT vondreele [4165] * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIstrMath.py (modified) fix Dysnomia bug for TOF data - array indexing issue remove unused ... Wed, 18 Sep 2019 17:34:20 GMT vondreele [4152] * trunk/GSASIImath.py (modified) * trunk/GSASIIstrMath.py (modified) more mag. stuff Fri, 06 Sep 2019 20:35:55 GMT vondreele [4139] * trunk/GSASIImath.py (modified) * trunk/GSASIIstrMath.py (modified) more mag. str. fctr. stuff Thu, 05 Sep 2019 21:08:51 GMT vondreele [4138] * trunk/GSASIImath.py (modified) * trunk/GSASIIstrMath.py (modified) comment out unused MagMod2 (no tau variation) SGGray distinction in ... Fri, 30 Aug 2019 19:03:45 GMT vondreele [4125] * trunk/GSASIImath.py (modified) * trunk/GSASIIstrMath.py (modified) back to incomm. mag. str. fctr. Sat, 27 Jul 2019 16:05:14 GMT vondreele [4073] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIobj.py (modified) * trunk/imports/G2phase.py (modified) minor typos & allow import PDB to read no unit cell dummy PDBs from ... Fri, 12 Jul 2019 18:16:46 GMT vondreele [4058] * trunk/GSASIImath.py (modified) * trunk/GSASIIstrMath.py (modified) G2math now has "right" stuff for mag. str. fctr. calc. Thu, 11 Jul 2019 18:03:41 GMT vondreele [4057] * trunk/GSASIImath.py (modified) * trunk/GSASIIstrMath.py (modified) tweaks of the mag. str. fctr. code Sun, 07 Jul 2019 22:14:44 GMT vondreele [4055] * trunk/GSASIImath.py (modified) * trunk/GSASIIstrMath.py (modified) minor changes to incomm. mag. srt. fctr. stuff. Still wrong. Sun, 07 Jul 2019 00:00:41 GMT vondreele [4054] * trunk/GSASIImath.py (modified) * trunk/GSASIIstrMath.py (modified) changes to incommensurate magnetism math Thu, 13 Jun 2019 20:56:48 GMT toby [4025] * trunk/GSASIImath.py (modified) more print filtering Thu, 06 Jun 2019 05:13:45 GMT vondreele [4016] * trunk/GSASIImath.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIstrMath.py (modified) fix problem if magcells True but no list of them (in Unit Cells List) ... Sun, 02 Jun 2019 15:39:04 GMT vondreele [4014] * trunk/GSASIImath.py (modified) fix print bug in fourier map calculation Fri, 17 May 2019 19:19:25 GMT vondreele [3982] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIddataGUI.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) begin work on MEM interface to Dysnomia Change fourier/cf ... Fri, 10 May 2019 13:16:17 GMT vondreele [3964] * trunk/GSASIImath.py (modified) fix RB bug involving zipped lists Wed, 08 May 2019 23:16:01 GMT vondreele [3961] * trunk/GSASIIctrlGUI.py (modified) * trunk/GSASIIddataGUI.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIspc.py (modified) set self.tutorialPath = '.\G2tutorial' if others fail. Don't know if ... Thu, 02 May 2019 18:02:31 GMT vondreele [3945] * trunk/GSASIImath.py (modified) * trunk/GSASIIplot.py (modified) fix 4D display of contour maps; now properly track with atom modulations Wed, 01 May 2019 14:50:10 GMT vondreele [3941] * trunk/GSASIImath.py (modified) fix peak picking problem - missing Z parameter in instparm file. Now ... 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 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 ... 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 13:10:41 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 - ... 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 Fri, 05 Apr 2019 20:36:26 GMT vondreele [3877] * trunk/GSASIImath.py (modified) * trunk/GSASIIstrMath.py (modified) micsf again 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 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 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, 15 Mar 2019 13:37:20 GMT vondreele [3853] * trunk/GSASIImath.py (modified) * trunk/GSASIIstrMath.py (modified) incomm.mag. mods 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. ... 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, ... Wed, 06 Mar 2019 18:49:44 GMT vondreele [3837] * trunk/GSASIImath.py (modified) * trunk/GSASIIstrMath.py (modified) more on incomm. mag. str. fctr. 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 ... 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 ... 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 ... 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 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 ... 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 ... 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, 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 ... Thu, 06 Dec 2018 17:52:54 GMT vondreele [3754] * trunk/GSASIImath.py (modified) * trunk/GSASIIspc.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMath.py (modified) begin work on incommensurate mag. structure factors fix problem of ... Mon, 26 Nov 2018 16:31:06 GMT vondreele [3738] * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIspc.py (modified) * trunk/atmdata.py (modified) * trunk/exports/G2export_csv.py (modified) fix mag form factor table so Ce & Ce+2 are both seen. Comment section ... Mon, 15 Oct 2018 17:00:08 GMT vondreele [3675] * trunk/GSASIImath.py (modified) * trunk/exports/G2export_CIF.py (modified) 5 spaces for d-spacing in exported cif files - per Jim Kaduk's ... Sun, 16 Sep 2018 00:20:55 GMT vondreele [3603] * trunk/GSASIImath.py (modified) small mods to SVD stuff Thu, 30 Aug 2018 21:49:24 GMT vondreele [3577] * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIspc.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/MAXMAGN.py (deleted) delete MAXMAGN - not using it any more fix (maybe) mag constraints; ... Thu, 23 Aug 2018 20:40:51 GMT vondreele [3568] * trunk/GSASIIlattice.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIspc.py (modified) finish interface with k-SUBGROUPSMAG output - selection of space ... Wed, 13 Jun 2018 22:48:33 GMT vondreele [3434] * trunk/GSASIImath.py (modified) * trunk/GSASIIspc.py (modified) working magnetic extinction check routine w. reference & comments - works Wed, 06 Jun 2018 13:28:50 GMT vondreele [3423] * trunk/GSASIIctrlGUI.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIstrMath.py (modified) * trunk/GSASIItestplot.py (modified) * trunk/testSSymbols.py (modified) fix chemical composition restraint. Wasn't updating with new fracs ... Fri, 30 Mar 2018 19:25:41 GMT vondreele [3329] * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) fix 2 integer divide errors in the Omit map routine fix error ... 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. Fri, 16 Feb 2018 20:10:45 GMT vondreele [3287] * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIspc.py (modified) fix atom transformation issues in modulation drawings. Wed, 14 Feb 2018 19:35:44 GMT vondreele [3285] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIspc.py (modified) start on symmetry constraints for magnetic modulations add error ... Tue, 13 Feb 2018 21:31:01 GMT vondreele [3282] * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIspc.py (modified) proper handling of gray group supersymmetry symbols, fix special ... Mon, 12 Feb 2018 21:03:17 GMT vondreele [3278] * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) undo move to unit cell before modulation fix (again) General tab display Fri, 09 Feb 2018 20:06:03 GMT vondreele [3268] * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIstrMath.py (modified) begin work on incommensurate mag SF calcs. fix problem with fade ... Thu, 08 Feb 2018 19:31:55 GMT vondreele [3266] * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIspc.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMath.py (modified) * trunk/imports/G2phase.py (modified) * trunk/imports/G2phase_CIF.py (modified) * trunk/imports/G2pwd_fxye.py (modified) change modulated wave type assignments so one for each kind of wave ... Mon, 05 Feb 2018 17:44:57 GMT vondreele [3261] * trunk/GSASIImath.py (modified) * trunk/imports/G2phase_CIF.py (modified) implement import of mcif with Crenel site fraction functions Sun, 04 Feb 2018 14:35:29 GMT vondreele [3259] * trunk/GSASIImath.py (modified) modulated mag moment fix Sat, 03 Feb 2018 20:49:45 GMT vondreele [3257] * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIspc.py (modified) * trunk/imports/G2phase_CIF.py (modified) * trunk/testSSymbols.py (modified) fixes to incommensurate space group symbol handling Thu, 01 Feb 2018 18:44:02 GMT vondreele [3254] * trunk/GSASIIIO.py (modified) * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIspc.py (modified) * trunk/GSASIIstrMath.py (modified) * trunk/imports/G2sfact.py (modified) fix XsSave names problem (G2IO) try to get ProgressBar box to stay ... Mon, 29 Jan 2018 15:34:15 GMT vondreele [3247] * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIspc.py (modified) implement pick of protein validation bar - new view point on ... Thu, 25 Jan 2018 18:25:26 GMT vondreele [3243] * trunk/GSASIIctrlGUI.py (modified) * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIrestrGUI.py (modified) * trunk/imports/G2phase.py (modified) G2ctrlGUI: comment about PyGridTableBase - python 3? move ... Tue, 23 Jan 2018 20:13:00 GMT vondreele [3241] * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) Add Nobs to print from Hessian LS fix bug in setting global TLS ... Thu, 18 Jan 2018 17:08:54 GMT vondreele [3231] * trunk/GSASIIindex.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/GSASIIstrMath.py (modified) fix bug in IndexPeaks display fix import pypowder issue in G2math ... Thu, 11 Jan 2018 20:27:40 GMT vondreele [3219] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIspc.py (modified) * trunk/GSASIIstrMath.py (modified) * trunk/imports/G2phase_CIF.py (modified) fix import mag commensurate structures - all drawn correctly now ... Sun, 07 Jan 2018 23:02:06 GMT vondreele [3215] * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIspc.py (modified) * trunk/imports/G2phase_CIF.py (modified) mag incommensurate stuff Wed, 27 Dec 2017 16:41:30 GMT vondreele [3208] * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIscriptable.py (modified) * trunk/GSASIIspc.py (modified) * trunk/imports/G2phase_CIF.py (modified) fix transformation bug abc -> abc* needed transform of matrix - ... Sun, 10 Dec 2017 16:14:04 GMT toby [3187] * trunk/GSASIIIO.py (modified) * trunk/GSASIIctrlGUI.py (modified) * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIobj.py (modified) * trunk/GSASIIscriptable.py (modified) * trunk/config_example.py (modified) * trunk/docs/source/GSASIIscripts.rst (modified) * trunk/docs/source/GSASIIutil.rst (modified) * trunk/docs/source/index.rst (modified) * trunk/makeTutorial.py (modified) misc docs cleanups; add 1-ID metadata reader & new config variable Tue, 28 Nov 2017 17:32:31 GMT vondreele [3164] * trunk/GSASIIElem.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIpwd.py (modified) fix neutron resonant scattering factor calcs. - neglected constant ... Tue, 21 Nov 2017 19:52:20 GMT vondreele [3157] * trunk/GSASIIIO.py (modified) * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIfiles.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIpwd.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIscriptable.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMath.py (modified) * trunk/defaultIparms.py (modified) add Lorentzian term 'Z' to CW profile instrument parameters - ... 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: ... Thu, 28 Sep 2017 19:25:23 GMT vondreele [3103] * trunk/GSASIIlattice.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) show seq. result in structure drawing - steps thru histograms ... Wed, 27 Sep 2017 15:56:21 GMT vondreele [3099] * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) fixes to protein validation code Mon, 25 Sep 2017 01:02:10 GMT vondreele [3097] * trunk/GSASIIlattice.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIspc.py (modified) fix origin shift transformation & vec,matrix, vec transformations; ... 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 ... Mon, 18 Sep 2017 13:52:24 GMT vondreele [3079] * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) implement rigid body reference vectors Tue, 05 Sep 2017 21:00:51 GMT vondreele [3048] * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIstrMath.py (modified) * trunk/config_example.py (modified) remove item from config_example.py fix bug in FindAtomsDraw ... Mon, 04 Sep 2017 17:46:53 GMT vondreele [3045] * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) plot both protein vlidators (#2 still in erroe) remove config value ... Sun, 03 Sep 2017 19:35:45 GMT vondreele [3044] * trunk (modified) * trunk/GSASIImath.py (modified) * trunk/basinhopping.py (deleted) remove local basinhopping Sun, 03 Sep 2017 18:19:41 GMT vondreele [3043] * trunk/GSASIImath.py (modified) comment block blunder fixed Sun, 03 Sep 2017 18:17:19 GMT vondreele [3042] * trunk/GSASIImath.py (modified) * trunk/GSASIIplot.py (modified) * trunk/basinhopping.py (modified) add scipy license to basinhopping MCSA plot bug fix Wed, 30 Aug 2017 20:09:56 GMT vondreele [3033] * trunk (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/config_example.py (modified) fixes to protein validate, "old" works; not "old" close but not perfect Mon, 28 Aug 2017 20:29:45 GMT vondreele [3030] * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) make protein validation work with old (works) and new (doesn't work) ... Mon, 28 Aug 2017 15:44:37 GMT vondreele [3029] * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) implement correctly errat for protein validation; erratv2 not right Sat, 12 Aug 2017 21:23:31 GMT vondreele [3003] * trunk/GSASIImath.py (modified) * trunk/GSASIIplot.py (modified) more development of protein validation - still not correct ... 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 Wed, 21 Jun 2017 14:35:40 GMT vondreele [2871] * trunk/GSASII.py (modified) * trunk/GSASIIIO.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIobj.py (modified) * trunk/GSASIIplot.py (modified) * trunk/fsource/powsubs/psvfcj.for (modified) * trunk/scanCCD.py (modified) change ContourColor default back to Paired even if it is 12 color ... Wed, 14 Jun 2017 21:11:42 GMT vondreele [2863] * trunk/GSASII.py (modified) * trunk/GSASIIIO.py (modified) * trunk/GSASIIctrls.py (modified) * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIobj.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIsasd.py (modified) * trunk/config_example.py (modified) * trunk/fsource/SConstruct (modified) * trunk/scanCCD.py (modified) extend contour color selection to include reversed ones (doubles the ... Tue, 06 Jun 2017 13:52:06 GMT vondreele [2860] * trunk/GSASIImath.py (modified) a bit more of protein validation Tue, 06 Jun 2017 12:49:22 GMT vondreele [2859] * trunk/GSASIImath.py (modified) partial implementation of protein check function - not done yet Tue, 06 Jun 2017 02:12:03 GMT vondreele [2858] * trunk/GSASIImath.py (modified) * trunk/GSASIIstrMath.py (modified) * trunk/imports/G2phase.py (modified) fix Pawley restraint problem force skip of disordered residues in ... 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). ...