source: trunk/GSASIIstrMath.py

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Diff Rev Age Author Log Message
(edit) @4999   2 months vondreele change incommensurate magneti str. fctr. equations avoid search for …
(edit) @4997   2 months vondreele move imports to top of G2ctrlGUi code so debugger can find it fix …
(edit) @4995   2 months vondreele
(edit) @4992   3 months vondreele some incomm. mag. str changes fix BondRadii? issue in structure drawing …
(edit) @4990   3 months toby renumber ouches to keep unique; give timing on ouch 4
(edit) @4981   3 months vondreele modify mag str fctr math. fix bug in PlotCovariance? - labels needed to …
(edit) @4972   3 months vondreele hide intensity related variables & set their refinement flags to False …
(edit) @4970   3 months vondreele fix PlotAAProb bugs - leftover pickradius & an xpos error fix scale …
(edit) @4958   3 months vondreele put floor onn histogram scale = 1e-4 (might be too big?) set …
(edit) @4950   3 months vondreele remove aspect='eual' from a plot contour call - no longer allowed put …
(edit) @4919   4 months vondreele change powder peak shape functions to include effect of varying step …
(edit) @4915   4 months vondreele add some doc strings for profile functions in G2pwd rename …
(edit) @4914   4 months toby ignore & highlight bad General Restraints; minor GUI fixes
(edit) @4869   6 months toby .Raise() is causing crashes, use only on wx.Dialog or wx.Frame
(edit) @4867   6 months vondreele fixes to incommensurate structure refinement
(edit) @4853   6 months vondreele fix to development of Uij constraints for atoms on 3 folds; lines …
(edit) @4852   6 months vondreele clarify text about constraints in ShowLSParms put a wx.Raise in for …
(edit) @4840   7 months toby LeBail? issues: bug on zero cycles fixed; new LeBail? fit menu item; …
(edit) @4834   7 months vondreele change 'RBf' to 'RBVf' & 'RBRf' as appropriate.
(edit) @4824   7 months vondreele add new refinable RB parameter for atom site fraction - always there; …
(edit) @4682   9 months toby improve refinement messages; help info
(edit) @4672   9 months vondreele remove all wx.ALIGN from wx Add with wx.EXPAND - invalid combination …
(edit) @4671   9 months vondreele add refinable multiplier for a fixed background; multiplier is now …
(edit) @4665   10 months toby fix Circle() picking; remove unneeded diagnostic from LSQ error
(edit) @4662   10 months toby improve error message
(edit) @4595   11 months toby add RB sym axis; implement in RB add; minor RB GUI reorg
(edit) @4557   13 months vondreele fix math error in StructureFactorDeriv? - sym op matrix needed …
(edit) @4535   14 months vondreele fix X-label for pink powder patterns revert incomm. mag. str. factor …
(edit) @4533   14 months vondreele fix math error in incomm mag str fctr stuff $ expand equations
(edit) @4531   14 months vondreele remove q-plot & d-plot options for Limits PWDR plot some cleanup in …
(edit) @4521   14 months vondreele complete pink Rietveld refinement fix problem with weights enhance …
(edit) @4520   14 months vondreele some corrections for pink beam single peak fits implement pink beam …
(edit) @4519   15 months vondreele G2fpaGUI - minor cleanup G2lattice - test on 'T' instead of 'C' so …
(edit) @4514   15 months vondreele remove non gpx entries from recent projects continue work on magnetism
(edit) @4513   15 months vondreele fix problem after setting 1-->2 transformation. A block of code …
(edit) @4488   15 months vondreele another try at incommensurate magnetic SF; fix bug in plotting mag moments.
(edit) @4377   18 months vondreele Add end-of-life warning for python 2.7 small fix for mag str. fctr calc
(edit) @4370   19 months vondreele Add new parameter to Data tab - Layer DispSizerThis? is intended to …
(edit) @4344   19 months vondreele
(edit) @4213   21 months toby multiple small changes to allow docs build under 3.x
(edit) @4185   2 years vondreele mag math again
(edit) @4182   2 years vondreele mag. str. fctr. changes
(edit) @4175   2 years vondreele fix transform for abc* matrix transposed; fix rounding issue fro …
(edit) @4169   2 years vondreele mag st fr
(edit) @4165   2 years vondreele fix Dysnomia bug for TOF data - array indexing issue remove unused mag …
(edit) @4163   2 years vondreele more mag.
(edit) @4160   2 years vondreele mag stuff again
(edit) @4159   2 years vondreele
(edit) @4158   2 years vondreele fix cif importer to read B values for Uiso
(edit) @4156   2 years vondreele fix problem with Jabobean refinement of multiple histograms
(edit) @4152   2 years vondreele more mag. stuff
(edit) @4151   2 years vondreele More mag. remove "not found" files from Reopen recent list - distraction
(edit) @4150   2 years vondreele more mag.
(edit) @4149   2 years vondreele mag. revisions
(edit) @4147   2 years vondreele mag. stuff update
(edit) @4145   2 years vondreele mag. stuff again
(edit) @4144   2 years vondreele magnetism again
(edit) @4143   2 years vondreele revert back to 4138 version
(edit) @4140   2 years vondreele save some mSF work
(edit) @4139   2 years vondreele more mag. str. fctr. stuff
(edit) @4138   2 years vondreele comment out unused MagMod2 (no tau variation) SGGray distinction in …
(edit) @4137   2 years vondreele fix bug about mpl.use when using spyder debug avoid non-standard keys …
(edit) @4136   2 years toby fix cancel in refine dialog, tested w/wx2.8,3.0 & 4.0
(edit) @4135   2 years vondreele Use ValidatedTextCtrl? for lattice parm inpt in General tab limit …
(edit) @4130   2 years vondreele a useful fix to incomm. mag. str.. fctr.. calc.
(edit) @4129   2 years vondreele minor IMSF change
(edit) @4125   2 years vondreele back to incomm. mag. str. fctr.
(edit) @4068   2 years vondreele fix bug in CalcBack? when no background file specified
(edit) @4066   2 years vondreele some fixes to sub. back plots
(edit) @4059   2 years vondreele IMSF stuff
(edit) @4058   2 years vondreele G2math now has "right" stuff for mag. str. fctr. calc.
(edit) @4057   2 years vondreele tweaks of the mag. str. fctr. code
(edit) @4055   2 years vondreele minor changes to incomm. mag. srt. fctr. stuff. Still wrong.
(edit) @4054   2 years vondreele changes to incommensurate magnetism math
(edit) @4051   2 years vondreele Correct error in PWDR extinction derivatives
(edit) @4050   2 years vondreele include extinction derivative for PWDR data
(edit) @4046   2 years toby remove histograms that are not added to a phse from the Seq Ref …
(edit) @4038   2 years vondreele set no. cycles to zero for simulated data.
(edit) @4016   2 years vondreele fix problem if magcells True but no list of them (in Unit Cells List) …
(edit) @3906   2 years toby implement fixed backgound file in Riteveld Fit; show Rietveld & peak …
(edit) @3882   2 years vondreele mag. incomm. str. fctr.
(edit) @3881   2 years vondreele mag. str fctr. (again...)
(edit) @3880   2 years vondreele mag str fctr. stuff
(edit) @3877   2 years vondreele micsf again
(edit) @3870   2 years vondreele still mag incomm. wrong
(edit) @3867   2 years vondreele modulated mag moments now ok; not sf calc
(edit) @3865   2 years vondreele a new attempt at incommensurate mag. str. fctrs.
(edit) @3864   2 years vondreele incommensurate mgnetic str. fctr. calcs.latest attempt
(edit) @3861   2 years vondreele another try at incomm. mag. str. fctr.
(edit) @3859   3 years toby Use Dij values for SeqRef? table even if not varied
(edit) @3853   3 years vondreele incomm.mag. mods
(edit) @3851   3 years vondreele incommensurate mag. str. fctr. agaiin - now close
(edit) @3850   3 years vondreele replace all 0 with 0. in atom insert or add routines incomm. mag. str …
(edit) @3848   3 years vondreele since id is a python routine which could be useful in debugging, …
(edit) @3839   3 years vondreele add some timing for plot patterns - controlled by showTiming more inn. …
(edit) @3837   3 years vondreele more on incomm. mag. str. fctr.
(edit) @3835   3 years vondreele Allow constraints on modulation vector changes to incommensurate mag. …
(edit) @3832   3 years vondreele fix reflection list & 3D HKL plots for modulated structures
(edit) @3830   3 years vondreele modify makeRing to allow optionally a multiplier on number of steps …
(edit) @3825   3 years vondreele create csv exporter for small angle data - includes size distribution …
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