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@733
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13 years |
vondreele |
fix to pawley update
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@729
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13 years |
vondreele |
minor fixes to mapPeaks plotting
begin to add charge flipping tutorial
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@727
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13 years |
vondreele |
add generic sort routine to G2mth
add dzero - distance of peak from …
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@724
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13 years |
vondreele |
update Fit Peaks.htm to Matt's suggestion
add a force to unit cell …
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@721
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13 years |
vondreele |
add dist/angle calc for map peaks
unique peaks selects unique set from …
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@719
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13 years |
vondreele |
fix up atom color change items
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@714
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13 years |
vondreele |
fix denSizer error
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@710
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13 years |
vondreele |
update garnet tutorial to reflect new options
fix backbone plotting …
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@709
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13 years |
vondreele |
add testGSASIIstruct.py
a fix to the data window restore after Refine …
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@704
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13 years |
vondreele |
minor cleanup
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@703
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13 years |
vondreele |
better fix to density problem
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@702
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13 years |
vondreele |
fix up the drawing options window
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@701
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13 years |
vondreele |
change Hessian progress bar dialog
fix crash in General cell & isotope …
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@699
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13 years |
vondreele |
implement restore data window after refine
implement sample parameters …
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@698
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13 years |
vondreele |
implement Pawley update from reflection list
a bit more for stress/atrain
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@697
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13 years |
vondreele |
add ranId to PWDR histograms & each PhaseSelector?
implement 'Use' for …
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@696
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13 years |
vondreele |
begin implementation of image strain analysis - GUI stuff first
make …
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@690
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13 years |
vondreele |
use wx.CallAfter? in UpdateGeneral?; maybe now OSX will work.
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@683
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13 years |
vondreele |
fix dlg.Destroy as needed
continue restraints work
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@682
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13 years |
toby |
remove extra destroy of modal dialogs within class defs; prevents Mac error
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@674
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13 years |
vondreele |
move peaksunique math to GSASIImath.py
fix geo correction in image …
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@663
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13 years |
vondreele |
fix too close peak rejection
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@661
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13 years |
toby |
complete revision number tracking
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@658
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13 years |
vondreele |
use steps/4 or /6 for fourier & charge flipping
more mods to …
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@657
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13 years |
vondreele |
fixups of findOffset & mapsearch
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@652
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13 years |
vondreele |
Add delete map peaks menu item
correct integration result for flat …
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@650
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13 years |
vondreele |
now reads Rayonix MX300HE tiff files
working on peaksUnique
bit of …
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@648
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13 years |
vondreele |
1st stab at a unique atoms picker - mostly GUI
format fix for …
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@647
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13 years |
vondreele |
HKLF mult fix
finish findOffset - works & reasonable speed
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@646
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13 years |
vondreele |
eliminate Friedel argument in genHKLf - didn't do anything
work on …
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@636
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13 years |
vondreele |
remove self.PWDR - not used
remove phase data plots & cell refine flag …
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@630
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13 years |
vondreele |
major mods for HKLF data
remove some dead code
mark more code as dead …
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@623
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13 years |
vondreele |
remove powder read from Data menu
remove 'menu' from import menus
use …
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@620
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13 years |
vondreele |
remove excessive tabs in source code
fix HKL controls GUI
change HKL …
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@612
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13 years |
vondreele |
complete combined x/n exercise & fix bugs uncovered in process
made …
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@609
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13 years |
vondreele |
adding more tutorials & fix some uncovered bugs
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@584
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13 years |
vondreele |
add coding line everywhere
more options in sample parm copy
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@574
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13 years |
vondreele |
fixed import of .gpx phases
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@573
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13 years |
vondreele |
add 'None' as one of the phase data plot options
trap failed charge …
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@568
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13 years |
vondreele |
remove gsas data window placement
moved peaks are C atoms
start on a …
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@563
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13 years |
vondreele |
add "None" element to table - used for charge flipping
mods to charge …
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@551
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13 years |
vondreele |
charge flipping
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@537
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13 years |
vondreele |
some refactoring/rearrangement in GSASIIgrid.py
fixes to …
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@530
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13 years |
vondreele |
small fix to HessianLSQ about # of cycles
finish map peak search (no …
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@529
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13 years |
vondreele |
fix rho min/max issues for contouring
fix errors in Fosq extraction in …
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@527
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13 years |
vondreele |
more on map peak fitting
add a global for htmlFirstUse
fix periodic …
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@526
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13 years |
vondreele |
make SetNewPhase? routine in GSASIIIO.py to initialize phase info
begin …
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@522
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13 years |
vondreele |
begin map search routines - GUI so far
make map move outside unit cell …
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@521
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13 years |
vondreele |
fourier maps & contouring - limiting sphere
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@520
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13 years |
vondreele |
separate getHKLmax
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@519
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13 years |
vondreele |
fixes to ViewParmDialog? try to get size right
add copy of refinement …
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@509
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13 years |
vondreele |
shuffle data GUI for clarity
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@508
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13 years |
vondreele |
some refactoring in GSASIIphsGUI.py
implement LG mixing coeff for size …
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@486
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13 years |
vondreele |
edit help & fix references to it
begin implementation of Fourier calcs.
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@485
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13 years |
vondreele |
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@484
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13 years |
vondreele |
change authorship
split GSASIIelem into a GUI & non-GUI parts
replace …
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@483
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13 years |
vondreele |
changes to eliminate wx objects (Colour & Point) from being saved in …
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@477
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13 years |
vondreele |
final fixes to dist-angle-torsion calc.
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@476
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13 years |
vondreele |
allow D & T atoms
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@470
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13 years |
vondreele |
progress on texture stuff
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@468
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13 years |
vondreele |
changed self to G2frame everywhere in all "sub" files that use it …
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@460
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13 years |
vondreele |
add more text to help/gsasII.html
finish best plane calcs
allow …
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@459
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13 years |
vondreele |
fix bug in GenAtom? - didn't eliminate special position duplicates …
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@458
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13 years |
vondreele |
finish dist angle calculations
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@457
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13 years |
vondreele |
begin distance angle calcs
move gpxfile routines from GSASIIstruct.py …
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@445
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14 years |
toby |
1st stop on help fixes
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@443
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14 years |
vondreele |
make sum powder profiles numpy arrays
change name UpdateBackgroundGrid? …
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@440
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14 years |
vondreele |
fix the mustrain ve microstrain title problem = GSASII.py
take …
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@439
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14 years |
toby |
do not destroy contents of scrolledwindow, as this deletes the …
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@437
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14 years |
vondreele |
use wx.CallAfter?() - a few places it didn't work!
possible new …
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@436
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14 years |
vondreele |
remove a stray print from psvfcj.for
add the wx inspector tool …
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@433
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14 years |
vondreele |
see mods to near bottom of UpdateDData (line 2609)
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@432
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14 years |
vondreele |
remove test prints from GSASIIIO
new Gmat2AB routine
work on the DData …
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@430
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14 years |
vondreele |
NB: There are a few stray print statements in this version
Some work …
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@428
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14 years |
vondreele |
begin something for plotting size & PO figures as well as mustrain …
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@416
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14 years |
toby |
use unicode with backslash x (micron symbol)
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@411
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14 years |
vondreele |
fix very old (!) bug in psvfcj.for
implement neutron scattering …
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@409
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14 years |
vondreele |
make it do CW neutrons - 1st pass at it
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@407
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14 years |
vondreele |
constraints round 2
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@406
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14 years |
vondreele |
implement background subtraction during image integration
implement …
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@405
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14 years |
vondreele |
finish refactor of DData
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@404
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14 years |
vondreele |
put error bars on seq refinement plots
add cubic elastic strain coeff …
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@402
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14 years |
vondreele |
refactor some of DData stuff
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@399
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14 years |
vondreele |
Implement sequential refinement
remove print "load" & "save" for each …
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@397
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14 years |
vondreele |
collect default settings for Sample in one routine
add recalibrate …
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@395
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14 years |
vondreele |
Add goniometer omega, chi & phi to sample data
put SH texture in …
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@388
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14 years |
vondreele |
add SGPolax to SGData dictionary - marks arbitrary axes in polar space …
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@380
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14 years |
vondreele |
completed Rietveld refinement version
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@379
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14 years |
vondreele |
finish spherical harmonics preferred orientation
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@375
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14 years |
vondreele |
GSASIIgrid.py - add Pawley estimator to menu
GSASIIlattice.py - fix …
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@372
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14 years |
vondreele |
Add new background functions & rework background GUI
Add hydrostatic …
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@368
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14 years |
vondreele |
fix controls setup & refine enable/disable
add print option to …
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@367
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14 years |
vondreele |
make Factor lower limit 0.00001
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@365
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14 years |
vondreele |
fixed to make size & mustrain sizers work (maybe just better).
Issue …
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@362
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14 years |
vondreele |
add shift factor to LS controls
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@360
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14 years |
vondreele |
just backup before trip
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@345
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14 years |
vondreele |
put new banner in GSASII.BAT
fix for vertical tilt & offset images …
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@342
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14 years |
vondreele |
major modifications to get 1st "working" version of Refine
Add …
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@335
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14 years |
vondreele |
Add delete Pawley list; scratch "leBail" from things
mods to texture …
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@327
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14 years |
vondreele |
fix to path name for atomdata.dat
fix to texture display - can't have …
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