|
|
@478
|
11 years |
vondreele |
spelling error!
reduce unneeded Draw() commands in structure plotting. …
|
|
|
@477
|
11 years |
vondreele |
final fixes to dist-angle-torsion calc.
|
|
|
@476
|
11 years |
vondreele |
allow D & T atoms
|
|
|
@475
|
11 years |
toby |
fix .EXP import with short SH record, more diagnostics on EXP/PDB read
|
|
|
@474
|
11 years |
vondreele |
fix to sequential refinement
|
|
|
@473
|
11 years |
vondreele |
Add FileDlgFixExt? to fix linux problem in FileDialog? where the …
|
|
|
@472
|
11 years |
vondreele |
fix init in CifFile?
|
|
|
@471
|
11 years |
toby |
Replace linked file
|
|
|
@470
|
11 years |
vondreele |
progress on texture stuff
|
|
|
@469
|
11 years |
toby |
rework phase import
|
|
|
@468
|
11 years |
vondreele |
changed self to G2frame everywhere in all "sub" files that use it …
|
|
|
@467
|
11 years |
vondreele |
more on file directories
fix for image controls & mask save
modify …
|
|
|
@466
|
11 years |
vondreele |
fix for PE tif file reading
invert y-axis on images
|
|
|
@465
|
11 years |
vondreele |
a bit more on directories
|
|
|
@464
|
11 years |
vondreele |
revamp directory behavior
|
|
|
@463
|
11 years |
vondreele |
|
|
|
@461
|
11 years |
vondreele |
|
|
|
@460
|
11 years |
vondreele |
add more text to help/gsasII.html
finish best plane calcs
allow …
|
|
|
@459
|
11 years |
vondreele |
fix bug in GenAtom? - didn't eliminate special position duplicates …
|
|
|
@458
|
11 years |
vondreele |
finish dist angle calculations
|
|
|
@457
|
11 years |
vondreele |
begin distance angle calcs
move gpxfile routines from GSASIIstruct.py …
|
|
|
@456
|
11 years |
toby |
determine path to GSAS files from file; trap & reset focus for …
|
|
|
@455
|
11 years |
toby |
add figures
|
|
|
@453
|
11 years |
vondreele |
refactor GSASIIgrid
new Hessian based least squares
new GSASIImath.py …
|
|
|
@452
|
11 years |
wallis |
Test submit - no changes made
|
|
|
@451
|
11 years |
vondreele |
|
|
|
@450
|
11 years |
vondreele |
|
|
|
@449
|
11 years |
toby |
Help updates: refactor help routine; use internal browser on Windows; …
|
|
|
@447
|
11 years |
vondreele |
Add another variation on background - individual peaks (not finished) …
|
|
|
@446
|
11 years |
vondreele |
continue refactoring of GSASIIgrid.py - DrawAtoms?
fix error in …
|
|
|
@445
|
11 years |
toby |
1st stop on help fixes
|
|
|
@443
|
11 years |
vondreele |
make sum powder profiles numpy arrays
change name UpdateBackgroundGrid? …
|
|
|
@442
|
11 years |
vondreele |
fix to mask bug in image integration with background subtraction
|
|
|
@441
|
11 years |
vondreele |
rename p:h:Size:0 & 1 to p:h:Size:i & a for isotropic/anisotropic …
|
|
|
@440
|
11 years |
vondreele |
fix the mustrain ve microstrain title problem = GSASII.py
take …
|
|
|
@439
|
11 years |
toby |
do not destroy contents of scrolledwindow, as this deletes the …
|
|
|
@438
|
11 years |
vondreele |
fix constraint dialogs for large nos. of histograms
|
|
|
@437
|
11 years |
vondreele |
use wx.CallAfter?() - a few places it didn't work!
possible new …
|
|
|
@436
|
11 years |
vondreele |
remove a stray print from psvfcj.for
add the wx inspector tool …
|
|
|
@435
|
11 years |
vondreele |
comment out debug stuff
|
|
|
@434
|
11 years |
vondreele |
|
|
|
@433
|
11 years |
vondreele |
see mods to near bottom of UpdateDData (line 2609)
|
|
|
@432
|
11 years |
vondreele |
remove test prints from GSASIIIO
new Gmat2AB routine
work on the DData …
|
|
|
@431
|
12 years |
vondreele |
3D plots for mustrain & size now have correct aspect ratio
title …
|
|
|
@430
|
12 years |
vondreele |
NB: There are a few stray print statements in this version
Some work …
|
|
|
@429
|
12 years |
vondreele |
set 'browser' as default help display
fix zero & zero offset to be …
|
|
|
@428
|
12 years |
vondreele |
begin something for plotting size & PO figures as well as mustrain …
|
|
|
@427
|
12 years |
toby |
implement HTML help
|
|
|
@426
|
12 years |
vondreele |
allow repositioning of reflection markers (up or down)
|
|
|
@425
|
12 years |
vondreele |
get As from Dijs in seqdata plotting
|
|
|
@424
|
12 years |
vondreele |
remove 'Back'ground from consideration for constraints
add a bit more …
|
|
|
@423
|
12 years |
vondreele |
Add help to all dataDisplay menus
remove ring fit points from …
|
|
|
@422
|
12 years |
vondreele |
fixes to position related derivatives
|
|
|
@421
|
12 years |
toby |
determine uncertainties on constrained variables
|
|
|
@420
|
12 years |
vondreele |
small fixes including
move msg = in SetVaryFlags? outside loop …
|
|
|
@419
|
12 years |
toby |
print constraint-generated variables
|
|
|
@418
|
12 years |
toby |
fix compute derivs for constrained vars
|
|
|
@417
|
12 years |
toby |
compute derivs for constrained vars
|
|
|
@416
|
12 years |
toby |
use unicode with backslash x (micron symbol)
|
|
|
@415
|
12 years |
toby |
implement refinement of constrained parameters; fix minor bugs; add …
|
|
|
@414
|
12 years |
vondreele |
new pyd files
|
|
|
@413
|
12 years |
vondreele |
add plotting of new atom coordinates to sequential refinement plots
|
|
|
@411
|
12 years |
vondreele |
fix very old (!) bug in psvfcj.for
implement neutron scattering …
|
|
|
@409
|
12 years |
vondreele |
make it do CW neutrons - 1st pass at it
|
|
|
@408
|
12 years |
vondreele |
add copy to limits menu
more constraint GUI stuff
|
|
|
@407
|
12 years |
vondreele |
constraints round 2
|
|
|
@406
|
12 years |
vondreele |
implement background subtraction during image integration
implement …
|
|
|
@405
|
12 years |
vondreele |
finish refactor of DData
|
|
|
@404
|
12 years |
vondreele |
put error bars on seq refinement plots
add cubic elastic strain coeff …
|
|
|
@403
|
12 years |
vondreele |
speedup GetUsedHistogramsAndPhases?
|
|
|
@402
|
12 years |
vondreele |
refactor some of DData stuff
|
|
|
@400
|
12 years |
vondreele |
new default for Vcov contour plot - RdYlGn?
faster cleanup on …
|
|
|
@399
|
12 years |
vondreele |
Implement sequential refinement
remove print "load" & "save" for each …
|
|
|
@398
|
12 years |
vondreele |
missed updating the GUI after recalibrate
|
|
|
@397
|
12 years |
vondreele |
collect default settings for Sample in one routine
add recalibrate …
|
|
|
@396
|
12 years |
vondreele |
make image calibration 0-360 (not -180-180) to match usual integration …
|
|
|
@395
|
12 years |
vondreele |
Add goniometer omega, chi & phi to sample data
put SH texture in …
|
|
|
@392
|
12 years |
vondreele |
put parmNames on y-axis of covariance plot
|
|
|
@391
|
12 years |
vondreele |
set default atom frac=1 for cif files
store covMatrix not normalized …
|
|
|
@390
|
12 years |
vondreele |
Add tooltip to covariance plot
clean up LS output formats
Add Fobs …
|
|
|
@388
|
12 years |
vondreele |
add SGPolax to SGData dictionary - marks arbitrary axes in polar space …
|
|
|
@386
|
12 years |
vondreele |
concatenate error fixed
|
|
|
@385
|
12 years |
vondreele |
fix gsasii.bat so clicking on a gpx file runs gsasii
|
|
|
@384
|
12 years |
vondreele |
add constraint & restraint items to tree - now empty
fix noncentro …
|
|
|
@383
|
12 years |
vondreele |
small fixes
|
|
|
@380
|
12 years |
vondreele |
completed Rietveld refinement version
|
|
|
@379
|
12 years |
vondreele |
finish spherical harmonics preferred orientation
|
|
|
@378
|
12 years |
vondreele |
a Pawley intensity fix, format fixes & Sph. Harm PO correction
|
|
|
@377
|
12 years |
vondreele |
better fix & some reorg. of GSASIIstruct.py
|
|
|
@376
|
12 years |
vondreele |
fix intensity type derivatives - scale, polarization, pref. ori., etc.
|
|
|
@375
|
12 years |
vondreele |
GSASIIgrid.py - add Pawley estimator to menu
GSASIIlattice.py - fix …
|
|
|
@374
|
12 years |
vondreele |
remove stray print
|
|
|
@373
|
12 years |
vondreele |
new covariance item in tree
new covariance matrix plotting
save cov …
|
|
|
@372
|
12 years |
vondreele |
Add new background functions & rework background GUI
Add hydrostatic …
|
|
|
@371
|
12 years |
vondreele |
|
|
|
@370
|
12 years |
toby |
Edits to build on 64-bit linux (RH Enterprise 5)
|
|
|
@369
|
12 years |
vondreele |
remove wx from GSASIIstruct.py
|
|
|
@368
|
12 years |
vondreele |
fix controls setup & refine enable/disable
add print option to …
|
|
|
@367
|
12 years |
vondreele |
make Factor lower limit 0.00001
|
|
|
@366
|
12 years |
vondreele |
comment out debug stuff
|
|
|