source: trunk/GSASIIstrMath.py

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Diff Rev Age Author Log Message
(edit) @5016   4 years vondreele Add missing Gonio. Radius to pink beam Sample parms. Minor fixes to …
(edit) @5015   4 years vondreele changes to comments
(edit) @5013   4 years vondreele remove invalid plot drag message - just console clutter current best …
(edit) @5011   4 years vondreele incommensurate magnetic structure factors very close to correct
(edit) @5009   4 years vondreele add 'det2thet' to image importers data dict.
(edit) @5001   4 years vondreele best incommensurate mag. struct. fctrs. so far but still not right.
(edit) @4999   4 years vondreele change incommensurate magneti str. fctr. equations avoid search for …
(edit) @4997   4 years vondreele move imports to top of G2ctrlGUi code so debugger can find it fix …
(edit) @4995   4 years vondreele
(edit) @4992   4 years vondreele some incomm. mag. str changes fix BondRadii? issue in structure drawing …
(edit) @4990   4 years toby renumber ouches to keep unique; give timing on ouch 4
(edit) @4981   4 years vondreele modify mag str fctr math. fix bug in PlotCovariance? - labels needed to …
(edit) @4972   4 years vondreele hide intensity related variables & set their refinement flags to False …
(edit) @4970   4 years vondreele fix PlotAAProb bugs - leftover pickradius & an xpos error fix scale …
(edit) @4958   4 years vondreele put floor onn histogram scale = 1e-4 (might be too big?) set …
(edit) @4950   4 years vondreele remove aspect='eual' from a plot contour call - no longer allowed put …
(edit) @4919   4 years vondreele change powder peak shape functions to include effect of varying step …
(edit) @4915   4 years vondreele add some doc strings for profile functions in G2pwd rename …
(edit) @4914   4 years toby ignore & highlight bad General Restraints; minor GUI fixes
(edit) @4869   4 years toby .Raise() is causing crashes, use only on wx.Dialog or wx.Frame
(edit) @4867   4 years vondreele fixes to incommensurate structure refinement
(edit) @4853   4 years vondreele fix to development of Uij constraints for atoms on 3 folds; lines …
(edit) @4852   4 years vondreele clarify text about constraints in ShowLSParms put a wx.Raise in for …
(edit) @4840   4 years toby LeBail? issues: bug on zero cycles fixed; new LeBail? fit menu item; …
(edit) @4834   4 years vondreele change 'RBf' to 'RBVf' & 'RBRf' as appropriate.
(edit) @4824   4 years vondreele add new refinable RB parameter for atom site fraction - always there; …
(edit) @4682   4 years toby improve refinement messages; help info
(edit) @4672   5 years vondreele remove all wx.ALIGN from wx Add with wx.EXPAND - invalid combination …
(edit) @4671   5 years vondreele add refinable multiplier for a fixed background; multiplier is now …
(edit) @4665   5 years toby fix Circle() picking; remove unneeded diagnostic from LSQ error
(edit) @4662   5 years toby improve error message
(edit) @4595   5 years toby add RB sym axis; implement in RB add; minor RB GUI reorg
(edit) @4557   5 years vondreele fix math error in StructureFactorDeriv? - sym op matrix needed …
(edit) @4535   5 years vondreele fix X-label for pink powder patterns revert incomm. mag. str. factor …
(edit) @4533   5 years vondreele fix math error in incomm mag str fctr stuff $ expand equations
(edit) @4531   5 years vondreele remove q-plot & d-plot options for Limits PWDR plot some cleanup in …
(edit) @4521   5 years vondreele complete pink Rietveld refinement fix problem with weights enhance …
(edit) @4520   5 years vondreele some corrections for pink beam single peak fits implement pink beam …
(edit) @4519   5 years vondreele G2fpaGUI - minor cleanup G2lattice - test on 'T' instead of 'C' so …
(edit) @4514   5 years vondreele remove non gpx entries from recent projects continue work on magnetism
(edit) @4513   5 years vondreele fix problem after setting 1-->2 transformation. A block of code …
(edit) @4488   5 years vondreele another try at incommensurate magnetic SF; fix bug in plotting mag moments.
(edit) @4377   5 years vondreele Add end-of-life warning for python 2.7 small fix for mag str. fctr calc
(edit) @4370   5 years vondreele Add new parameter to Data tab - Layer DispSizerThis? is intended to …
(edit) @4344   5 years vondreele
(edit) @4213   6 years toby multiple small changes to allow docs build under 3.x
(edit) @4185   6 years vondreele mag math again
(edit) @4182   6 years vondreele mag. str. fctr. changes
(edit) @4175   6 years vondreele fix transform for abc* matrix transposed; fix rounding issue fro …
(edit) @4169   6 years vondreele mag st fr
(edit) @4165   6 years vondreele fix Dysnomia bug for TOF data - array indexing issue remove unused mag …
(edit) @4163   6 years vondreele more mag.
(edit) @4160   6 years vondreele mag stuff again
(edit) @4159   6 years vondreele
(edit) @4158   6 years vondreele fix cif importer to read B values for Uiso
(edit) @4156   6 years vondreele fix problem with Jabobean refinement of multiple histograms
(edit) @4152   6 years vondreele more mag. stuff
(edit) @4151   6 years vondreele More mag. remove "not found" files from Reopen recent list - distraction
(edit) @4150   6 years vondreele more mag.
(edit) @4149   6 years vondreele mag. revisions
(edit) @4147   6 years vondreele mag. stuff update
(edit) @4145   6 years vondreele mag. stuff again
(edit) @4144   6 years vondreele magnetism again
(edit) @4143   6 years vondreele revert back to 4138 version
(edit) @4140   6 years vondreele save some mSF work
(edit) @4139   6 years vondreele more mag. str. fctr. stuff
(edit) @4138   6 years vondreele comment out unused MagMod2 (no tau variation) SGGray distinction in …
(edit) @4137   6 years vondreele fix bug about mpl.use when using spyder debug avoid non-standard keys …
(edit) @4136   6 years toby fix cancel in refine dialog, tested w/wx2.8,3.0 & 4.0
(edit) @4135   6 years vondreele Use ValidatedTextCtrl? for lattice parm inpt in General tab limit …
(edit) @4130   6 years vondreele a useful fix to incomm. mag. str.. fctr.. calc.
(edit) @4129   6 years vondreele minor IMSF change
(edit) @4125   6 years vondreele back to incomm. mag. str. fctr.
(edit) @4068   6 years vondreele fix bug in CalcBack? when no background file specified
(edit) @4066   6 years vondreele some fixes to sub. back plots
(edit) @4059   6 years vondreele IMSF stuff
(edit) @4058   6 years vondreele G2math now has "right" stuff for mag. str. fctr. calc.
(edit) @4057   6 years vondreele tweaks of the mag. str. fctr. code
(edit) @4055   6 years vondreele minor changes to incomm. mag. srt. fctr. stuff. Still wrong.
(edit) @4054   6 years vondreele changes to incommensurate magnetism math
(edit) @4051   6 years vondreele Correct error in PWDR extinction derivatives
(edit) @4050   6 years vondreele include extinction derivative for PWDR data
(edit) @4046   6 years toby remove histograms that are not added to a phse from the Seq Ref …
(edit) @4038   6 years vondreele set no. cycles to zero for simulated data.
(edit) @4016   6 years vondreele fix problem if magcells True but no list of them (in Unit Cells List) …
(edit) @3906   6 years toby implement fixed backgound file in Riteveld Fit; show Rietveld & peak …
(edit) @3882   6 years vondreele mag. incomm. str. fctr.
(edit) @3881   6 years vondreele mag. str fctr. (again...)
(edit) @3880   6 years vondreele mag str fctr. stuff
(edit) @3877   6 years vondreele micsf again
(edit) @3870   6 years vondreele still mag incomm. wrong
(edit) @3867   6 years vondreele modulated mag moments now ok; not sf calc
(edit) @3865   6 years vondreele a new attempt at incommensurate mag. str. fctrs.
(edit) @3864   6 years vondreele incommensurate mgnetic str. fctr. calcs.latest attempt
(edit) @3861   6 years vondreele another try at incomm. mag. str. fctr.
(edit) @3859   6 years toby Use Dij values for SeqRef? table even if not varied
(edit) @3853   6 years vondreele incomm.mag. mods
(edit) @3851   6 years vondreele incommensurate mag. str. fctr. agaiin - now close
(edit) @3850   6 years vondreele replace all 0 with 0. in atom insert or add routines incomm. mag. str …
(edit) @3848   6 years vondreele since id is a python routine which could be useful in debugging, …
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