# # ChangeLog for trunk/GSASIIspc.py # # Generated by Trac 1.0.13 # Jun 29, 2025 8:51:26 AM Tue, 31 Jul 2018 19:57:22 GMT vondreele [3521] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIspc.py (modified) * trunk/GSASIItestplot.py (modified) * trunk/MAXMAGN.py (added) * trunk/atmdata.py (modified) * trunk/testXNFF.py (modified) fix In neutron scattering length info add MAXMAGN.py minor changes ... Tue, 10 Jul 2018 16:41:00 GMT vondreele [3465] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIspc.py (modified) * trunk/exports/G2export_CIF.py (modified) * trunk/imports/G2phase_CIF.py (modified) deal with export/import issues for mag cif files fix bug for new ... Mon, 25 Jun 2018 14:50:21 GMT vondreele [3450] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIspc.py (modified) put a check on existence of "dataWindow" before clearing it - line ... Thu, 14 Jun 2018 20:31:10 GMT vondreele [3435] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIpwd.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIspc.py (modified) make new routine GetSpGrpfromUser & use it inGeneral & Transform fo ... 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, 13 Jun 2018 17:58:28 GMT vondreele [3433] * trunk/GSASIIIO.py (modified) * trunk/GSASIIspc.py (modified) * trunk/GSASIIstrMath.py (modified) objectScanIgnore additions put in phase fro mag reflections better ... Fri, 08 Jun 2018 13:53:57 GMT vondreele [3425] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIspc.py (modified) use nxs = np.newaxis in G2spc. Add 2 functions for checking symm ... Sat, 02 Jun 2018 12:42:33 GMT vondreele [3418] * trunk/GSASIIctrlGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIspc.py (modified) * trunk/GSASIIstrMath.py (modified) move SGMagSpinBox from G2phsGUI to G2ctrlGUI add selection of spin ... Thu, 24 May 2018 15:16:05 GMT vondreele [3400] * trunk/GSASIIspc.py (modified) fix space group operator interpreter for magnetic mcif files (only ... Wed, 23 May 2018 20:24:10 GMT vondreele [3399] * trunk/GSASIIspc.py (modified) remove debug print from ApplyStringOpsMom Wed, 23 May 2018 20:22:22 GMT vondreele [3398] * trunk/GSASIIspc.py (modified) drawing reload (almost) works for magnetic structures - suspect for ... Wed, 23 May 2018 15:28:09 GMT vondreele [3397] * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIspc.py (modified) fix Constraints problem when no histograms (or phases) display new ... Tue, 22 May 2018 20:51:10 GMT vondreele [3396] * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIspc.py (modified) * trunk/fsource/pyspg.for (modified) * trunk/fsource/spsubs/genhkl.for (modified) set refList=False for a couple of calls to GetHistogramPhaseData ... Fri, 18 May 2018 17:41:23 GMT vondreele [3393] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIspc.py (modified) implement GUI to change BNS lattice centering for magnetic space ... Wed, 16 May 2018 15:31:09 GMT vondreele [3390] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIrestrGUI.py (modified) * trunk/GSASIIspc.py (modified) * trunk/GSASIIstrIO.py (modified) fix issue with deleted phases in Restraints - they are now deleted ... Tue, 15 May 2018 13:33:56 GMT vondreele [3387] * trunk/GSASIIspc.py (modified) fix to GetLittleGrpOps Fri, 11 May 2018 19:40:06 GMT vondreele [3380] * trunk/GSASIIctrlGUI.py (modified) * trunk/GSASIIspc.py (modified) * trunk/GSASIIstrMath.py (modified) Add several text blocks to tutorial listing & switch format to ... Thu, 10 May 2018 17:48:20 GMT vondreele [3379] * trunk/GSASIIspc.py (modified) fix problem of bad space group symbol (no field spaces) found in cif file Wed, 11 Apr 2018 18:32:49 GMT vondreele [3340] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIspc.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMath.py (modified) * trunk/testDeriv.py (modified) make testDeriv py3 compatible fix problem with Reload draw atoms - ... Fri, 06 Apr 2018 20:35:44 GMT vondreele [3338] * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIspc.py (modified) * trunk/GSASIIstrMath.py (modified) * trunk/imports/G2phase_CIF.py (modified) fix SpnFlp issues for mcif imports - had messed up mag structure ... Wed, 04 Apr 2018 19:38:28 GMT vondreele [3336] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIspc.py (modified) fix atom multiplicity doubling if centro & magnetic imported from cif ... Wed, 04 Apr 2018 14:47:03 GMT vondreele [3335] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIspc.py (modified) * trunk/imports/G2phase_CIF.py (modified) fix display of magnetic symmetry operators with colors ("Show spins") Mon, 02 Apr 2018 22:00:57 GMT vondreele [3334] * trunk/GSASIIspc.py (modified) * trunk/imports/G2phase_CIF.py (modified) correct issues with import & display of incommensurate magnetic spin ... Fri, 23 Mar 2018 18:41:13 GMT vondreele [3320] * trunk/GSASIIplot.py (modified) * trunk/GSASIIspc.py (modified) * trunk/GSASIIstrMath.py (modified) implement new delt/sig subplot for PWDR & SASD plots - nvoked with ... Fri, 16 Mar 2018 17:24:43 GMT vondreele [3317] * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIIctrlGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIspc.py (modified) magnetic site symmetry restrictions on moments & magnetic site ... Tue, 06 Mar 2018 15:43:03 GMT vondreele [3311] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIspc.py (modified) * trunk/GSASIIstrIO.py (modified) remove unused SytSym argument from GetCSpqinel - not needed Mon, 05 Mar 2018 22:28:16 GMT vondreele [3310] * trunk/GSASIIspc.py (modified) * trunk/imports/G2phase_GPX.py (modified) still more magsym fixes Mon, 05 Mar 2018 21:35:32 GMT vondreele [3309] * trunk/GSASIIspc.py (modified) remove debug prints! Mon, 05 Mar 2018 21:31:19 GMT vondreele [3308] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIspc.py (modified) more fixes for mag site symmetry constraints Sat, 03 Mar 2018 18:40:36 GMT vondreele [3307] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIspc.py (modified) provide print tool for magnetic space group operators that can be fed ... Sat, 03 Mar 2018 13:27:30 GMT vondreele [3306] * trunk/GSASIIspc.py (modified) remove a debug print & fix mag site sym problem Fri, 02 Mar 2018 19:44:14 GMT vondreele [3302] * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIspc.py (modified) mag sym fixes Thu, 01 Mar 2018 20:30:45 GMT vondreele [3300] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIspc.py (modified) * trunk/imports/G2phase.py (modified) magnetic phase changes, check importers, read old gpxfiles, etc. Tue, 27 Feb 2018 22:25:17 GMT vondreele [3297] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIspc.py (modified) * trunk/GSASIIstrMath.py (modified) progress on magnetism - BNS system ok for monoclinic, orthorhombic, ... Thu, 22 Feb 2018 17:01:07 GMT vondreele [3295] * trunk/GSASIIElem.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIspc.py (modified) * trunk/atmdata.py (modified) remove superfluous calls to SpcGroup after SGData has been defined ... Tue, 20 Feb 2018 15:22:51 GMT vondreele [3293] * trunk/GSASIIspc.py (modified) Fix problems with GenAtom 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. Thu, 15 Feb 2018 22:30:05 GMT vondreele [3286] * trunk/GSASIIplot.py (modified) * trunk/GSASIIspc.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/config_example.py (modified) add modulation movies to structure drawings; makes gif files for both ... 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 19:50:40 GMT vondreele [3276] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIspc.py (modified) * trunk/imports/G2phase_CIF.py (modified) fixes to WaveSizer for individual wavetypes. fixes to GetSSfxuinel ... 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 ... 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 ... Sat, 27 Jan 2018 14:49:12 GMT vondreele [3245] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIspc.py (modified) * trunk/GSASIIstrMath.py (modified) * trunk/exports/G2export_PDB.py (modified) * trunk/imports/G2phase.py (modified) * trunk/imports/G2sfact.py (modified) * trunk/imports/G2sfact_CIF.py (modified) fix problem with incommensurate magnetic structures from CIFhklReader ... Wed, 24 Jan 2018 15:35:01 GMT vondreele [3242] * trunk/GSASIIddataGUI.py (modified) * trunk/GSASIIspc.py (modified) implement calc of mean mustrain from generalized mustrain coefficients Tue, 23 Jan 2018 15:51:03 GMT vondreele [3239] * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIrestrGUI.py (modified) * trunk/GSASIIspc.py (modified) * trunk/imports/G2phase.py (modified) implement use of 2-site disordered amino acid residues in proteins: ... Fri, 19 Jan 2018 18:11:54 GMT vondreele [3234] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIspc.py (modified) * trunk/testSSymbols.py (modified) new G2spc.SSChoice routine finds all allowed super space group ... Tue, 16 Jan 2018 22:37:58 GMT vondreele [3227] * trunk/GSASIIindex.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIspc.py (modified) * trunk/testSSymbols.py (modified) incommensurate ndexing changes & fixes Mon, 15 Jan 2018 17:21:31 GMT vondreele [3225] * trunk/GSASIIspc.py (modified) fix modulation phase Sun, 14 Jan 2018 21:58:51 GMT vondreele [3224] * trunk/GSASIIspc.py (modified) * trunk/GSASIIstrMath.py (modified) * trunk/imports/G2phase.py (modified) fix phase offset in modulations mark places to fix mag structure ... Sat, 13 Jan 2018 15:20:13 GMT vondreele [3221] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIspc.py (modified) * trunk/imports/G2phase.py (modified) fix import of magnetic structures from .EXP files complete list of ... Fri, 12 Jan 2018 20:18:13 GMT vondreele [3220] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIspc.py (modified) * trunk/imports/G2phase_CIF.py (modified) minor fixes to commensurate magnetic cif import & display 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 Thu, 04 Jan 2018 16:29:00 GMT vondreele [3212] * trunk/GSASIIctrlGUI.py (modified) * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIspc.py (modified) fix problem of missing rd.MPhase in phase imports work on display of ... Mon, 01 Jan 2018 20:12:54 GMT vondreele [3211] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIspc.py (modified) * trunk/imports/G2phase_CIF.py (modified) fix integer divide in wave display some fixes to mcif import Fri, 29 Dec 2017 18:52:35 GMT vondreele [3210] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIspc.py (modified) * trunk/imports/G2phase_CIF.py (modified) some fixes for magnetic incommensurate cifs - dealing with 2 ... 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 - ... Thu, 21 Dec 2017 17:50:09 GMT vondreele [3200] * trunk/GSASIIspc.py (modified) * trunk/exports/G2export_CIF.py (modified) * trunk/exports/G2export_PDB.py (modified) fix bugs in various exporters for cif & pdb files. allow for missing ... Tue, 19 Dec 2017 20:24:36 GMT vondreele [3197] * trunk/GSASIIctrlGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIspc.py (modified) * trunk/imports/G2phase_CIF.py (modified) Rearrange SingleStringDialog window - put '?' at end of text box ... Fri, 15 Dec 2017 19:19:06 GMT vondreele [3194] * trunk/CifFile/CifFile.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIspc.py (modified) * trunk/imports/G2img_1TIF.py (modified) * trunk/imports/G2img_CBF.py (modified) * trunk/imports/G2phase_CIF.py (modified) fix to CifFile fixes to cbf & tif importers for new Pilatus 2M ... Wed, 13 Dec 2017 14:26:51 GMT vondreele [3191] * trunk/GSASIIElem.py (modified) * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIspc.py (modified) * trunk/imports/G2phase_CIF.py (modified) fix integer divides in responding to unit cell changes on Unit Cells ... Sat, 09 Dec 2017 14:54:59 GMT vondreele [3186] * trunk/GSASIIimage.py (modified) * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIspc.py (modified) * trunk/imports/G2phase_CIF.py (modified) revisions to integrate images so that masks are reused if not changed ... Wed, 06 Dec 2017 17:14:29 GMT vondreele [3176] * trunk/GSASIIspc.py (modified) * trunk/imports/G2img_1TIF.py (modified) Add A centered monoclinics to super symmetry ptssdict Add import of ... Mon, 04 Dec 2017 22:22:31 GMT vondreele [3172] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIimgGUI.py (modified) * trunk/GSASIIspc.py (modified) * trunk/imports/G2phase_CIF.py (modified) * trunk/testSSymbols.py (modified) change from wx.DefaultSize to our defaults if window size is 'None' ... Sun, 03 Dec 2017 21:09:20 GMT vondreele [3171] * trunk/GSASIIdataGUI.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIspc.py (modified) * trunk/testSSymbols.py (modified) fix missing window size parameter changes to super symmetry ... Thu, 30 Nov 2017 21:00:18 GMT vondreele [3168] * trunk/CifFile/StarFile.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIspc.py (modified) * trunk/imports/G2phase_CIF.py (modified) fix phase data copy operations - needed copy.deepcopy in 2 places ... 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 16:17:17 GMT toby [3102] * trunk/GSASIIscriptable.py (modified) * trunk/GSASIIspc.py (modified) * trunk/docs/source/GSASIIscripts.rst (modified) * trunk/help/gsasII.html (modified) docs for G2scripting; start thinking about how to postpone ... 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; ... Sun, 25 Jun 2017 19:52:51 GMT toby [2875] * trunk/GSASIIctrls.py (modified) * trunk/GSASIIgrid.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIspc.py (modified) * trunk/testSSymbols.py (modified) Allow space group entry by number; move SGMessageBox to GSASIIctrls Wed, 26 Apr 2017 14:51:43 GMT vondreele [2809] * trunk/GSASIIgrid.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIspc.py (modified) add new transform option for moving atoms from setting #1 --> #2 Fri, 10 Mar 2017 18:01:46 GMT vondreele [2753] * trunk/GSASII.py (modified) * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIspc.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMath.py (modified) minor shuffling about for atom constraints - no discernable impact ... Thu, 08 Dec 2016 19:11:10 GMT vondreele [2567] * trunk/GSASIIpwd.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIspc.py (modified) * trunk/exports/G2export_CIF.py (modified) fix to export CIF sym. op. problem use ValidatedTxtctrl for all ... Sat, 26 Nov 2016 16:29:02 GMT vondreele [2549] * trunk/GSASIIspc.py (modified) * trunk/testDeriv.py (modified) fix special position restrictions on Mx,MY,Mz on -1 site. Tue, 22 Nov 2016 19:08:48 GMT vondreele [2546] * trunk/GSASIIElem.py (modified) * trunk/GSASIIElemGUI.py (modified) * trunk/GSASIIIO.py (modified) * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIIctrls.py (modified) * trunk/GSASIIddataGUI.py (modified) * trunk/GSASIIexprGUI.py (modified) * trunk/GSASIIgrid.py (modified) * trunk/GSASIIimage.py (modified) * trunk/GSASIIindex.py (modified) * trunk/GSASIIlattice.py (modified) * trunk/GSASIImapvars.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/GSASIIpy3.py (modified) * trunk/GSASIIrestrGUI.py (modified) * trunk/GSASIIsasd.py (modified) * trunk/GSASIIspc.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMain.py (modified) * trunk/GSASIIstrMath.py (modified) * trunk/imports/G2img_1TIF.py (modified) cleanup of all GSASII main routines - remove unused variables, dead ... Mon, 21 Nov 2016 22:40:02 GMT vondreele [2544] * trunk/GSASII.py (modified) * trunk/GSASIIIO.py (modified) * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIIgrid.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIspc.py (modified) major cleanup of unused variables, etc. Sat, 15 Oct 2016 16:20:33 GMT vondreele [2492] * trunk/GSASIIElem.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIspc.py (modified) * trunk/GSASIIstrMath.py (modified) fix handling of Lande g factor fix Mag structure factor calcs - now ... Wed, 12 Oct 2016 18:06:57 GMT vondreele [2486] * trunk/ElementTable.py (modified) * trunk/GSASII.py (modified) * trunk/GSASIIElem.py (modified) * trunk/GSASIIElemGUI.py (modified) * trunk/GSASIIIO.py (modified) * trunk/GSASIIgrid.py (modified) * trunk/GSASIIlattice.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIspc.py (modified) * trunk/GSASIIstrMath.py (modified) * trunk/imports/G2phase.py (modified) fix mag form factor lookup - some aren't chemical valences (e.g. ... Mon, 03 Oct 2016 18:24:31 GMT vondreele [2483] * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIspc.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/GSASIIstrMath.py (modified) fix site symmetry issues for magnetic moments on special positions Tue, 20 Sep 2016 18:58:10 GMT vondreele [2473] * trunk/GSASIIElem.py (modified) * trunk/GSASIIconstrGUI.py (modified) * trunk/GSASIIlattice.py (modified) * trunk/GSASIIobj.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIpwd.py (modified) * trunk/GSASIIspc.py (modified) * trunk/GSASIIstrIO.py (modified) * trunk/imports/G2phase.py (modified) work on magnetic structures - import from EXP, plotting, LS refine ... Fri, 16 Sep 2016 19:40:22 GMT vondreele [2470] * trunk/GSASIIlattice.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIspc.py (modified) * trunk/imports/G2phase.py (modified) * trunk/imports/G2phase_CIF.py (modified) * trunk/imports/G2phase_INS.py (modified) magnetic structure editing/drawing work - includes site symm restrictions Thu, 15 Sep 2016 19:03:04 GMT vondreele [2468] * trunk/GSASIIimage.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIspc.py (modified) * trunk/imports/G2phase.py (modified) add dzero calc from compression 2D images plot magnetic structures; ... Wed, 14 Sep 2016 19:09:49 GMT vondreele [2467] * trunk/GSASIIimage.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIspc.py (modified) modify 2D strain Dcalc to be dmin+(dmax-dmin)/4. per Yan Gao begin ... Tue, 13 Sep 2016 14:42:05 GMT vondreele [2466] * trunk/GSASIIgrid.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIspc.py (modified) * trunk/GSASIIstrMain.py (modified) implement user entered starting Marquardt lambda value (order of ... Sun, 11 Sep 2016 20:05:54 GMT vondreele [2464] * trunk/GSASIIgrid.py (modified) * trunk/GSASIIphsGUI.py (modified) * trunk/GSASIIspc.py (modified) magnetic space group work - spin flip display 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, 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 Mon, 01 Aug 2016 13:12:26 GMT vondreele [2402] * trunk/GSASIIspc.py (modified) a patch for use of old fortran binaries 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 ... Sat, 09 Jul 2016 15:45:12 GMT vondreele [2367] * trunk/GSASIIddataGUI.py (modified) * trunk/GSASIIlattice.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIspc.py (modified) add display of inverse pole figure for each histogram - works but are ... Wed, 25 May 2016 14:29:51 GMT vondreele [2289] * trunk/GSASIIIO.py (modified) * trunk/GSASIIspc.py (modified) * trunk/imports/G2phase_INS.py (modified) fixed interpretation of space group symbols with :1/2 at end ... Fri, 26 Feb 2016 18:05:09 GMT vondreele [2158] * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIspc.py (modified) Add C1 to Bravais lattice tables - future use some replacement of ... Tue, 26 Jan 2016 19:16:37 GMT vondreele [2136] * trunk/GSASIIgrid.py (modified) * trunk/GSASIIindex.py (modified) * trunk/GSASIIlattice.py (modified) * trunk/GSASIIplot.py (modified) * trunk/GSASIIpwdGUI.py (modified) * trunk/GSASIIspc.py (modified) * trunk/exports/G2export_CIF.py (modified) * trunk/exports/G2export_examples.py (modified) * trunk/imports/G2sfact_CIF.py (modified) fix indexing problem in 32 bit versions - Skip in ProgressDialog ... 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 ... 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 & ... Thu, 19 Nov 2015 15:15:05 GMT vondreele [2061] * trunk/GSASII.py (modified) * trunk/GSASIImath.py (modified) * trunk/GSASIIspc.py (modified) * trunk/GSASIIstrMath.py (modified) modify export app peak lists to include d-spacing as a column fix 2x ...