source: trunk/GSASIImath.py

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Diff Rev Age Author Log Message
(edit) @4910   4 years vondreele Add Wilson statistics to Reflection list menu - computes Wilson plot, …
(edit) @4903   4 years vondreele fix 2 issues in HessianLSQ for SVN LinAlgErrors? fix a typo in G2plot …
(edit) @4840   4 years toby LeBail? issues: bug on zero cycles fixed; new LeBail? fit menu item; …
(edit) @4839   4 years vondreele change formatting for scale/phase fraction in G2ddataGUI & G2strIO now …
(edit) @4838   4 years vondreele comment out MakeDrawAtom? in G2constrGUI & make the call to …
(edit) @4830   4 years vondreele show more places in Absorb output improve image absorption calcs for …
(edit) @4819   4 years toby seq ref: fix & edit phase vars for 1 hist; spyder conveniences; …
(edit) @4811   4 years toby more wx4.1 & help button fixes; fix OnLeave? if called when a window is …
(edit) @4789   4 years toby switch to new HessianLSQ; Ouch#4 msg in GUI; misc wx4.1 fixes; docs …
(edit) @4770   4 years vondreele reinstitute final call to Hess after convergence - required for proper esds
(edit) @4767   4 years vondreele comment out recalculatin if LS matrix after convergence - faster LS …
(edit) @4764   4 years toby HessianLSQ: force vars to float; small wx 4.1 fixes; scriptable: more …
(edit) @4763   4 years vondreele cleanup tif import for PIL use - remove commented lines move …
(edit) @4761   4 years toby refinements with no variables or no cycles
(edit) @4760   4 years toby fix zero cycle bug
(edit) @4709   4 years vondreele new (BT mostly) version of HessianLSQ & additions; fix nan problem in …
(edit) @4688   4 years toby correct setting of singular vars in old HessianLSQ
(edit) @4671   4 years vondreele add refinable multiplier for a fixed background; multiplier is now …
(edit) @4614   5 years vondreele provide protection for acosd in RotateRBXYZ & UpdateRBXYZ Add sitesym …
(edit) @4598   5 years vondreele cosmetic changes
(edit) @4595   5 years toby add RB sym axis; implement in RB add; minor RB GUI reorg
(edit) @4583   5 years toby revise graphics & input for Insert Rigid Body
(edit) @4578   5 years toby docs for freezing parameters started + docs cleanup; start scriptable …
(edit) @4560   5 years vondreele fix *.10 error in XScattDen - used in reflectometry & small angle …
(edit) @4553   5 years vondreele reimplement new PeaksUnique? code & make more general. Now finds unique …
(edit) @4547   5 years vondreele AddToNotebook? routine added & implemented for peakfit & charge flipping
(edit) @4542   5 years vondreele revert PeaksUniqure? back to version <#4473 so it properly does sorted …
(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) @4526   5 years vondreele fix to incomm. moment display
(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) @4491   5 years toby Add VoidMap?; change min/max in ValidatedTextCtrl? to xmin/xmax; new …
(edit) @4489   5 years vondreele further fixup of incommensurate mag moment drawings. Now correct.
(edit) @4488   5 years vondreele another try at incommensurate magnetic SF; fix bug in plotting mag moments.
(edit) @4485   5 years vondreele fix plotting of BNS centered modulated magnetic moment plotting
(edit) @4483   5 years vondreele fix to MagMod? /2 error fix bug in HKLF reflection list
(edit) @4479   5 years toby changes to unique map peaks & plotting after selection
(edit) @4431   5 years toby new code for locating RBs; redo GUI for RB extractor
(edit) @4425   5 years vondreele fix generation of fullrmc pdb file for structures with partial …
(edit) @4421   5 years toby add R.B. extractor; misc doc updates; plt bug after strip Hs; grid …
(edit) @4415   5 years vondreele change export_PDB to handle fullrmc pdb files implement Wenqian's mod …
(edit) @4401   5 years vondreele Add texture index & esd to texture results - all 3 different cases. …
(edit) @4324   5 years vondreele revised auto spot finder; set default esdMul = 3 everywhere try …
(edit) @4295   5 years vondreele fix crash on zero cycles (e.g.in a simulation)
(edit) @4291   5 years vondreele new tool in Phase/General? - Compare: compares (P 1 only) structures to …
(edit) @4289   5 years vondreele start on 'Compare' for comparison of bonding polyhedra between phases …
(edit) @4285   5 years vondreele fix assemble molecule - need list not range
(edit) @4222   5 years toby Py3 bug fix
(edit) @4213   5 years toby multiple small changes to allow docs build under 3.x
(edit) @4185   6 years vondreele mag math again
(edit) @4183   6 years vondreele moe mg.
(edit) @4182   6 years vondreele mag. str. fctr. changes
(edit) @4176   6 years vondreele best mag ss sf calc for DyMn6Ge6
(edit) @4165   6 years vondreele fix Dysnomia bug for TOF data - array indexing issue remove unused mag …
(edit) @4152   6 years vondreele more mag. stuff
(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) @4125   6 years vondreele back to incomm. mag. str. fctr.
(edit) @4073   6 years vondreele minor typos & allow import PDB to read no unit cell dummy PDBs from …
(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) @4025   6 years toby more print filtering
(edit) @4016   6 years vondreele fix problem if magcells True but no list of them (in Unit Cells List) …
(edit) @4014   6 years vondreele fix print bug in fourier map calculation
(edit) @3982   6 years vondreele begin work on MEM interface to Dysnomia Change fourier/cf "Resolution" …
(edit) @3964   6 years vondreele fix RB bug involving zipped lists
(edit) @3961   6 years vondreele set self.tutorialPath = '.\G2tutorial' if others fail. Don't know if …
(edit) @3945   6 years vondreele fix 4D display of contour maps; now properly track with atom modulations
(edit) @3941   6 years vondreele fix peak picking problem - missing Z parameter in instparm file. Now …
(edit) @3913   6 years toby Update Rietveld cycle-by-cycle
(edit) @3900   6 years vondreele cursor now reports position/density on contour slice. Contour control …
(edit) @3896   6 years vondreele enormous speed improvement for contour plot - not dependent on map size
(edit) @3894   6 years vondreele optimize getRhos ~ 10-20% improvement is all I could manage
(edit) @3893   6 years vondreele remove commented lines & "improve" getRhos - more numpy oriented - not …
(edit) @3888   6 years vondreele provide contour plot (not finished yet) on structure drawing
(edit) @3877   6 years vondreele micsf again
(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) @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, …
(edit) @3837   6 years vondreele more on incomm. mag. str. fctr.
(edit) @3835   6 years vondreele Allow constraints on modulation vector changes to incommensurate mag. …
(edit) @3821   6 years vondreele more changes for incommensurate mag str fctr remove GUI update after …
(edit) @3818   6 years vondreele implement sqrt(I) plots for multiplots & contour plots - key 's' to …
(edit) @3808   6 years vondreele latest attempt at incommensurate mag str fctr & some cleanup of dead ends
(edit) @3777   6 years vondreele fix wx.SAVE --> wx.FD_SAVE bug work on incommensurate magnetic …
(edit) @3774   6 years vondreele fix super indexing problem in transposeHKLF fix reflection generation …
(edit) @3768   6 years vondreele name fix for single crystal 1D plots remove ZigZag? & Block from …
(edit) @3759   6 years vondreele add fullIntegrate = True to configuration stuff add input control for …
(edit) @3754   6 years vondreele begin work on incommensurate mag. structure factors fix problem of …
(edit) @3738   7 years vondreele fix mag form factor table so Ce & Ce+2 are both seen. Comment section …
(edit) @3675   7 years vondreele 5 spaces for d-spacing in exported cif files - per Jim Kaduk's request …
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