source: trunk/GSASIIstrMath.py

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Diff Rev Age Author Log Message
(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, …
(edit) @3839   6 years vondreele add some timing for plot patterns - controlled by showTiming more inn. …
(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) @3832   6 years vondreele fix reflection list & 3D HKL plots for modulated structures
(edit) @3830   6 years vondreele modify makeRing to allow optionally a multiplier on number of steps …
(edit) @3825   6 years vondreele create csv exporter for small angle data - includes size distribution …
(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) @3812   6 years vondreele incommensurate mag str fctr. closer but still not right
(edit) @3808   6 years vondreele latest attempt at incommensurate mag str fctr & some cleanup of dead ends
(edit) @3806   6 years toby redo parameter lookup to provide numerical deriv step size (see …
(edit) @3805   6 years vondreele fix normalization of mag moments --> Kvector add save of map peaks as …
(edit) @3803   6 years vondreele fix print bug in twin refinement output a fix(?) to the alumina Uij …
(edit) @3802   6 years toby generalized restraints completed
(edit) @3801   6 years vondreele combine cell2AB & Gmat2AB in G2lat fixes to mag. str. fctr. math. …
(edit) @3795   6 years vondreele fix space group & incommensurate space group displays for mag. …
(edit) @3778   6 years vondreele correct calculation of FWHM for TOF data & fix the alp values in the …
(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) @3773   6 years vondreele Uncomment lines 3534 & 3535 commented in rev 3004 - messed up Ka2 part …
(edit) @3764   6 years vondreele fixes to nonFourier modulation & derivatives - zigzag works
(edit) @3759   6 years vondreele add fullIntegrate = True to configuration stuff add input control for …
(edit) @3755   7 years vondreele change delt-M for mag. derivative calcs to 1.e-6 - same results. use …
(edit) @3754   7 years vondreele begin work on incommensurate mag. structure factors fix problem of …
(edit) @3595   7 years vondreele fix singular matrix problem for magnetic atoms with zero moment.
(edit) @3433   7 years vondreele objectScanIgnore additions put in phase fro mag reflections better …
(edit) @3423   7 years vondreele fix chemical composition restraint. Wasn't updating with new fracs …
(edit) @3418   7 years vondreele move SGMagSpinBox from G2phsGUI to G2ctrlGUI add selection of spin …
(edit) @3416   7 years vondreele One more tweak to Mag moment derivatives
(edit) @3415   7 years vondreele change testDeriv.py so it can be run in a bat file. mag moment …
(edit) @3414   7 years vondreele correct Uij & sin/cosUij derivatives for i!=j; all needed *2.
(edit) @3383   7 years vondreele
(edit) @3380   7 years vondreele Add several text blocks to tutorial listing & switch format to display …
(edit) @3374   7 years vondreele further mag derivatives - getting closer
(edit) @3372   7 years vondreele disable printing of debug info for binary location & config controls …
(edit) @3353   7 years vondreele remove call to paint after selecting all atoms. (paint cleared …
(edit) @3346   7 years vondreele fix the 1,1,1,90,90,90 problem for lattice parm default - 2 places
(edit) @3341   7 years vondreele simplify mag moment derivatives
(edit) @3340   7 years vondreele make testDeriv py3 compatible fix problem with Reload draw atoms - mag …
(edit) @3339   7 years vondreele fix to magstructure factor calc for multiple mag atoms fxn now OK, but …
(edit) @3338   7 years vondreele fix SpnFlp? issues for mcif imports - had messed up mag structure …
(edit) @3337   7 years vondreele fixes to MagStructureFactor2use ValidatedTxYctrl? for unit cell input …
(edit) @3320   7 years vondreele implement new delt/sig subplot for PWDR & SASD plots - nvoked with 'w' …
(edit) @3297   7 years vondreele progress on magnetism - BNS system ok for monoclinic, orthorhombic, …
(edit) @3268   7 years vondreele begin work on incommensurate mag SF calcs. fix problem with fade calc. …
(edit) @3266   7 years vondreele change modulated wave type assignments so one for each kind of wave …
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