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@568
|
13 years |
vondreele |
remove gsas data window placement
moved peaks are C atoms
start on a …
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@563
|
13 years |
vondreele |
add "None" element to table - used for charge flipping
mods to charge …
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@551
|
13 years |
vondreele |
charge flipping
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@537
|
13 years |
vondreele |
some refactoring/rearrangement in GSASIIgrid.py
fixes to …
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@530
|
13 years |
vondreele |
small fix to HessianLSQ about # of cycles
finish map peak search (no …
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@529
|
13 years |
vondreele |
fix rho min/max issues for contouring
fix errors in Fosq extraction in …
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@527
|
13 years |
vondreele |
more on map peak fitting
add a global for htmlFirstUse
fix periodic …
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@526
|
13 years |
vondreele |
make SetNewPhase? routine in GSASIIIO.py to initialize phase info
begin …
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@522
|
13 years |
vondreele |
begin map search routines - GUI so far
make map move outside unit cell …
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@521
|
13 years |
vondreele |
fourier maps & contouring - limiting sphere
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@520
|
13 years |
vondreele |
separate getHKLmax
|
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@519
|
13 years |
vondreele |
fixes to ViewParmDialog? try to get size right
add copy of refinement …
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@509
|
13 years |
vondreele |
shuffle data GUI for clarity
|
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@508
|
13 years |
vondreele |
some refactoring in GSASIIphsGUI.py
implement LG mixing coeff for size …
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@486
|
13 years |
vondreele |
edit help & fix references to it
begin implementation of Fourier calcs.
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@485
|
13 years |
vondreele |
|
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@484
|
13 years |
vondreele |
change authorship
split GSASIIelem into a GUI & non-GUI parts
replace …
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@483
|
13 years |
vondreele |
changes to eliminate wx objects (Colour & Point) from being saved in …
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@477
|
13 years |
vondreele |
final fixes to dist-angle-torsion calc.
|
|
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@476
|
13 years |
vondreele |
allow D & T atoms
|
|
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@470
|
13 years |
vondreele |
progress on texture stuff
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|
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@468
|
13 years |
vondreele |
changed self to G2frame everywhere in all "sub" files that use it …
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@460
|
13 years |
vondreele |
add more text to help/gsasII.html
finish best plane calcs
allow …
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@459
|
13 years |
vondreele |
fix bug in GenAtom? - didn't eliminate special position duplicates …
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@458
|
13 years |
vondreele |
finish dist angle calculations
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|
|
@457
|
13 years |
vondreele |
begin distance angle calcs
move gpxfile routines from GSASIIstruct.py …
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@445
|
13 years |
toby |
1st stop on help fixes
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|
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@443
|
13 years |
vondreele |
make sum powder profiles numpy arrays
change name UpdateBackgroundGrid? …
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@440
|
13 years |
vondreele |
fix the mustrain ve microstrain title problem = GSASII.py
take …
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@439
|
13 years |
toby |
do not destroy contents of scrolledwindow, as this deletes the …
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@437
|
14 years |
vondreele |
use wx.CallAfter?() - a few places it didn't work!
possible new …
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@436
|
14 years |
vondreele |
remove a stray print from psvfcj.for
add the wx inspector tool …
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@433
|
14 years |
vondreele |
see mods to near bottom of UpdateDData (line 2609)
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@432
|
14 years |
vondreele |
remove test prints from GSASIIIO
new Gmat2AB routine
work on the DData …
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|
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@430
|
14 years |
vondreele |
NB: There are a few stray print statements in this version
Some work …
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|
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@428
|
14 years |
vondreele |
begin something for plotting size & PO figures as well as mustrain …
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|
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@416
|
14 years |
toby |
use unicode with backslash x (micron symbol)
|
|
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@411
|
14 years |
vondreele |
fix very old (!) bug in psvfcj.for
implement neutron scattering …
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|
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@409
|
14 years |
vondreele |
make it do CW neutrons - 1st pass at it
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|
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@407
|
14 years |
vondreele |
constraints round 2
|
|
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@406
|
14 years |
vondreele |
implement background subtraction during image integration
implement …
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@405
|
14 years |
vondreele |
finish refactor of DData
|
|
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@404
|
14 years |
vondreele |
put error bars on seq refinement plots
add cubic elastic strain coeff …
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@402
|
14 years |
vondreele |
refactor some of DData stuff
|
|
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@399
|
14 years |
vondreele |
Implement sequential refinement
remove print "load" & "save" for each …
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@397
|
14 years |
vondreele |
collect default settings for Sample in one routine
add recalibrate …
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@395
|
14 years |
vondreele |
Add goniometer omega, chi & phi to sample data
put SH texture in …
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|
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@388
|
14 years |
vondreele |
add SGPolax to SGData dictionary - marks arbitrary axes in polar space …
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|
|
@380
|
14 years |
vondreele |
completed Rietveld refinement version
|
|
|
@379
|
14 years |
vondreele |
finish spherical harmonics preferred orientation
|
|
|
@375
|
14 years |
vondreele |
GSASIIgrid.py - add Pawley estimator to menu
GSASIIlattice.py - fix …
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|
|
@372
|
14 years |
vondreele |
Add new background functions & rework background GUI
Add hydrostatic …
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|
|
@368
|
14 years |
vondreele |
fix controls setup & refine enable/disable
add print option to …
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|
|
@367
|
14 years |
vondreele |
make Factor lower limit 0.00001
|
|
|
@365
|
14 years |
vondreele |
fixed to make size & mustrain sizers work (maybe just better).
Issue …
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|
|
@362
|
14 years |
vondreele |
add shift factor to LS controls
|
|
|
@360
|
14 years |
vondreele |
just backup before trip
|
|
|
@345
|
14 years |
vondreele |
put new banner in GSASII.BAT
fix for vertical tilt & offset images …
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@342
|
14 years |
vondreele |
major modifications to get 1st "working" version of Refine
Add …
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|
|
@335
|
14 years |
vondreele |
Add delete Pawley list; scratch "leBail" from things
mods to texture …
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|
|
@327
|
14 years |
vondreele |
fix to path name for atomdata.dat
fix to texture display - can't have …
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|
|
@326
|
14 years |
vondreele |
remove cf2py
add inverse polefigure
|
|
|
@313
|
14 years |
vondreele |
work on texture display & computation
|
|
|
@311
|
14 years |
vondreele |
finish new indexing refinement stuff
more on texture plotting
|
|
|
@303
|
14 years |
vondreele |
Allow reading of xye (Topas style) files
Begin implementation of …
|
|
|
@264
|
14 years |
vondreele |
begin implementation of pdf generation - work in progress
modify image …
|
|
|
@242
|
14 years |
vondreele |
refactor polygon search & rendering to eliminate internal "faces". …
|
|
|
@230
|
14 years |
vondreele |
add svn keywords & add log intensity plotting
|
|
|
@193
|
14 years |
vondreele |
various fixes, but still bugs.
GSASII.py - add more sample parameters …
|
|
|
@190
|
15 years |
vondreele |
fill Pawley reflections grid
fix Item vs item
|
|
|
@185
|
15 years |
vondreele |
testpos & atom color fixes
|
|
|
@173
|
15 years |
vondreele |
fix atom selection clearing
fix contour plotting
|
|
|
@167
|
15 years |
vondreele |
image fixes for offset detector
drawing/phase fixes
|
|
|
@166
|
15 years |
vondreele |
fixups of atom editing/atom drawing
|
|
|
@165
|
15 years |
vondreele |
patches for atom plotting & phase/histogram edits
|
|
|
@164
|
15 years |
vondreele |
more parameters
|
|
|
@163
|
15 years |
vondreele |
new versions
|
|
|
@161
|
15 years |
vondreele |
implement hardcopy (jpeg, tiff & bmp) output of structure drawings
|
|
|
@158
|
15 years |
vondreele |
implement drawing options:
select atom hilites
movable test point & …
|
|
|
@157
|
15 years |
vondreele |
much faster bond finding
|
|
|
@155
|
15 years |
vondreele |
changes for structure drawing
|
|
|
@152
|
15 years |
vondreel |
Atom types now forced to be in standard form, implement fully atom …
|
|
|
@146
|
15 years |
vondreel |
generalData changed from list to dictionary
add menu items to atoms …
|
|
|
@142
|
15 years |
vondreel |
major refactor of phase editing, EXP & PDB import
replace "general" …
|
|
|
@94
|
15 years |
vondreel |
move all fortran to fsource
add gray for readonly textctrl
do polygon …
|
|
|
@83
|
15 years |
vondreel |
further splits of G2gd --> GSASIIphsGUI.py & GSASIIimgGUI.py
Modify …
|