source: trunk

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Diff Rev Age Author Log Message
(edit) @4892   5 months toby missed inage change; FPA: as per Cline, 5 line (4 w/mono) now default; …
(edit) @4890   5 months vondreele use os.path.dirname(filename) instead of G2G.GetImportPath? for iparm …
(edit) @4889   5 months toby do not change image formatName
(edit) @4888   5 months vondreele define Uani as 1/3 trace of diagonalized U matrix in export cif
(edit) @4887   5 months toby deal with 0 on elem sym; save binary path; support ..._exec in config
(edit) @4886   5 months vondreele fix reference to masked arrays x,yobs.…
(edit) @4885   5 months vondreele insert missing '\' in docs correct Sm154 neutron scattering length …
(edit) @4884   5 months toby add all cell params to CIF when Dij values are used
(edit) @4883   5 months toby CIF multiblock export: set temperature in Phase
(edit) @4882   5 months toby new routine: getCellSU
(edit) @4881   6 months vondreele color nonpositive definita thermal parameters in red in Atom list
(edit) @4880   6 months toby implement constraints in scriptable, part 3; misc docs fixes
(edit) @4879   6 months toby implement constraints in scriptable, part 2
(edit) @4878   6 months toby implement constraints in scriptable, part 1
(edit) @4877   6 months toby fix read w/blank name
(edit) @4876   6 months toby fix cell offsets in CIF export
(edit) @4875   6 months vondreele Add Nvar to Notebook entry for LS refinement result
(edit) @4874   6 months toby fix flag on new file
(edit) @4873   6 months toby add tutorial to index/web page
(edit) @4872   6 months toby export project to giant ASCII file; add CIF tutorial; set misc svn flags
(edit) @4871   6 months toby normalized plotting: reset scale
(edit) @4870   6 months toby problem with limits applied to plotting of wrong histogram; add …
(edit) @4869   6 months toby .Raise() is causing crashes, use only on wx.Dialog or wx.Frame
(edit) @4868   6 months toby fix back print issue + some CIF fixes
(edit) @4867   6 months vondreele fixes to incommensurate structure refinement
(edit) @4866   6 months vondreele monoclinic indexing returns proper reduced cells
(edit) @4865   6 months vondreele fixes to monoclinic A,C,I centered cell indexing (still need to do P) …
(edit) @4864   6 months vondreele proper fix to bond restraint bug
(edit) @4863   6 months vondreele fix 2 bugs in macromolecular restraints
(edit) @4862   6 months vondreele add A-centered monoclinic to list of indexable lattices. Fix a number …
(edit) @4861   6 months toby fix Bob's RB constraint fix
(edit) @4860   6 months vondreele change titles & labels for shift/esd plot since it plots intiial …
(edit) @4859   6 months vondreele use new symmetry constraint scheme in MakeRBParms
(edit) @4858   6 months vondreele undo "fix" to covariance plot y-axis tick labels
(edit) @4857   6 months vondreele Add new button to Covariance page - Show last shift/esd bar plot Add …
(edit) @4856   6 months toby full CIF fixes
(edit) @4855   6 months vondreele Add new option to AtomModify? in G2phsGUI - 'Uij' - converts Uiso to …
(edit) @4854   6 months vondreele apply scheme used for Uiso symmetry constraints to all other symmetry …
(edit) @4853   6 months vondreele fix to development of Uij constraints for atoms on 3 folds; lines …
(edit) @4852   7 months vondreele clarify text about constraints in ShowLSParms put a wx.Raise in for …
(edit) @4851   7 months toby reformat equivalence pairs as Bob prefers
(edit) @4850   7 months vondreele fix LeBail? test to skip HKLF histograms in G2strMain fix DBW access …
(edit) @4849   7 months toby apply symmetry constraints on rigid body origin; show position vars …
(edit) @4848   7 months vondreele implement the show/hide systematic absences in single crystal …
(edit) @4847   7 months vondreele Add (TBD) hide/showtoggle for single crystal systematic extinctions in …
(edit) @4846   7 months toby save GPX before OnFileSave?
(edit) @4845   7 months toby Tutorial #50 now in web page
(edit) @4844   7 months toby Le Bail tutorial; pretty up tutorial table
(edit) @4843   7 months toby fix Le Bail issues: LB before refinement; bug for combined fits; …
(edit) @4842   7 months toby fix Refine Cell enable after cell copy; misc wx4.1 fixes
(edit) @4841   7 months toby fix bind problem w/Sequential plots; open sequential fit tree item on start
(edit) @4840   7 months toby LeBail? issues: bug on zero cycles fixed; new LeBail? fit menu item; …
(edit) @4839   7 months vondreele change formatting for scale/phase fraction in G2ddataGUI & G2strIO now …
(edit) @4838   7 months vondreele comment out MakeDrawAtom? in G2constrGUI & make the call to …
(edit) @4837   7 months vondreele change line styles in fprme f' & f" plot. add a Raise for the …
(edit) @4836   7 months vondreele Change status bar to show useful message about right click when …
(edit) @4835   7 months toby fix tick animation with weight (w) plot; unable to fix seq plot update …
(edit) @4834   7 months vondreele change 'RBf' to 'RBVf' & 'RBRf' as appropriate.
(edit) @4833   7 months toby popup menu for GSGrids; split off sequential display; rename File menu …
(edit) @4832   7 months vondreele fix gaim map calc to include cylindrical sample absorption fix phase …
(edit) @4831   7 months vondreele Fix SHELX hkl importer to deal with 3 digit hkls
(edit) @4830   7 months vondreele show more places in Absorb output improve image absorption calcs for …
(edit) @4829   7 months toby minor bugs: site sym for wrong RB; GUI stuff; force RB edit before …
(edit) @4828   7 months vondreele another fix to delete vector RB
(edit) @4827   7 months vondreele fix bug deleting vector RB
(edit) @4826   7 months vondreele fix PDF GUI stuff transmission as percent, plot limits for g(r) fix …
(edit) @4825   7 months toby remove unused & deleted hists from seq ref; option to remove hists …
(edit) @4824   7 months vondreele add new refinable RB parameter for atom site fraction - always there; …
(edit) @4823   7 months toby fix naming of new variable constraints; label them & improve …
(edit) @4822   7 months toby Warn if param limits on constrained vars
(edit) @4821   7 months toby new peakfit mode in scripting: allow peak width terms to remain …
(edit) @4820   7 months vondreele remove masks from argument list for MakeGainMap? - not used Tweak gain …
(edit) @4819   7 months toby seq ref: fix & edit phase vars for 1 hist; spyder conveniences; …
(edit) @4818   7 months vondreele Add new routine RBsymCheck to G2lat - it checks RB atom positions for …
(edit) @4817   7 months vondreele fix a contour level bug - crash when there isn't any
(edit) @4816   7 months vondreele fix crash in RepaintRBInfo for Vector RBs
(edit) @4815   7 months vondreele fix problem of shifting RB origin; changed atom fractions!
(edit) @4814   7 months toby Add 'V' option (vector only) for rigid body fitting -- cleanup
(edit) @4813   7 months toby Add 'V' option (vector only) for rigid body fitting
(edit) @4812   7 months vondreele Add Cycle XYZ button on residue RB GUI & add description to help text …
(edit) @4811   7 months toby more wx4.1 & help button fixes; fix OnLeave? if called when a window is …
(edit) @4810   7 months vondreele fix depreciation warning in G2indx.findMV fix numpy round bug in …
(edit) @4809   8 months toby display more Residue rigid body info; better docs
(edit) @4808   8 months vondreele Correct values in Compton table as pointed out by Laszlo Temleitner.
(edit) @4807   8 months vondreele improvement to excluded region operation - now will immediately …
(edit) @4806   8 months vondreele remove bigSizer from UpdatePWHKPlot - use mainSizer = vertical box …
(edit) @4805   8 months toby start replacing dataWindow.GetSizer? with .SetSizer? since Sizer could …
(edit) @4804   8 months toby fix change in MPL posy & posx to nonpositive
(edit) @4803   8 months toby don't reuse dataWindow sizer for background or PWDR; plotting: reset f …
(edit) @4802   8 months vondreele upon integration add Dark, Background & Gain map info to Comments
(edit) @4801   8 months toby Cleanup deleted hists in Phase/data; improve help button location; …
(edit) @4800   8 months toby finish up docs cleanups
(edit) @4799   8 months toby work on docs
(edit) @4798   8 months toby work on docs
(edit) @4797   8 months toby work on docs
(edit) @4796   8 months vondreele patch for missing 'Gain map' data item
(edit) @4795   8 months toby work on docs
(edit) @4794   8 months toby work on docs
(edit) @4793   8 months toby work on docs
(edit) @4792   8 months toby check in changes to allow cctbx to use DoIndexPeaks and !refinePeaks
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