|
|
|
@3589
|
5 years |
vondreele |
fixes to Bilbao mag symm stuff - now gets nonstd. sp.grp. correct with …
|
|
|
|
@3587
|
5 years |
vondreele |
further work on magnetic structures:
now proper symmetry processing of …
|
|
|
|
@3586
|
5 years |
vondreele |
rename MiltiFloatDialog? to MultiDataDialog? - better now that it does …
|
|
|
|
@3585
|
5 years |
vondreele |
change Bilbao dialog to use fractions for kx,ky,kz (not decimals) - …
|
|
|
|
@3583
|
5 years |
vondreele |
fixes so orthorhombic mag space groups from Bilbao conserve axes - …
|
|
|
|
@3579
|
5 years |
vondreele |
fix transformation error for mag cells
disable formation of magnetic …
|
|
|
|
@3577
|
5 years |
vondreele |
delete MAXMAGN - not using it any more
fix (maybe) mag constraints; …
|
|
|
|
@3575
|
5 years |
vondreele |
add table of alternate space group settings for orthorhombics
remove …
|
|
|
|
@3574
|
5 years |
vondreele |
fix RDF plot axis label & make 21 be upper limit on number of Debye …
|
|
|
|
@3571
|
5 years |
toby |
Add FPA peak fitting
|
|
|
|
@3570
|
5 years |
vondreele |
implement auto save after Bilbao result obtained
and auto saveas when …
|
|
|
|
@3568
|
5 years |
vondreele |
finish interface with k-SUBGROUPSMAG output - selection of space group …
|
|
|
|
@3566
|
5 years |
vondreele |
enable Copy cell for magcells in Unit Cell List
fix OnSortCells? & …
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|
|
|
@3565
|
5 years |
vondreele |
G2ctrls: change MultiFloatDialog? to accept bool arguments - maybe …
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|
|
|
@3562
|
5 years |
vondreele |
remove stray print in G2pwdGUI
add G2spc.TextGen? to make list of space …
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|
|
|
@3561
|
5 years |
vondreele |
add Print operators option to SGMessageBox for showing operators on …
|
|
|
|
@3560
|
5 years |
vondreele |
fix index problem in Unit Cells List
a bit more mag transform mods
|
|
|
|
@3558
|
5 years |
vondreele |
more revisions to Transform - Bilbao list properly processed
primed …
|
|
|
|
@3554
|
5 years |
vondreele |
add volume & space group defaults to Unit cell controls defaults
|
|
|
|
@3521
|
5 years |
vondreele |
fix In neutron scattering length info
add MAXMAGN.py
minor changes to …
|
|
|
|
@3512
|
5 years |
vondreele |
yet another transform cell fix for magnetism
|
|
|
|
@3511
|
5 years |
vondreele |
more fixes to cell transform stuff
remove commented out code from …
|
|
|
|
@3505
|
5 years |
vondreele |
more fixes to cell transform stuff
|
|
|
|
@3503
|
5 years |
vondreele |
add possibility of transforming test cell in Unit cell list
|
|
|
|
@3496
|
5 years |
vondreele |
fix issues with masks & powder patterns
remove stray print
|
|
|
|
@3477
|
5 years |
vondreele |
remove a dlg.Destroy - it was deleted earlier - this gave error
add …
|
|
|
|
@3464
|
5 years |
vondreele |
fix Unit cell load/import cells to force R3-H fro rhombohedral cases …
|
|
|
|
@3460
|
5 years |
vondreele |
fix indexing problem - needed another "triclinic" because I added C-1
|
|
|
|
@3452
|
5 years |
vondreele |
Add 'C -1' as possible Bravais lattice/space group for Unit cell GUI …
|
|
|
|
@3443
|
5 years |
vondreele |
fix bug in refining lattice parameters from peak fit positions
|
|
|
|
@3439
|
5 years |
toby |
more scripting peaks stuff
|
|
|
|
@3435
|
5 years |
vondreele |
make new routine GetSpGrpfromUser? & use it inGeneral & Transform fo …
|
|
|
|
@3420
|
5 years |
vondreele |
update hkl lines after spin change (still does nothing, but this is …
|
|
|
|
@3418
|
5 years |
vondreele |
move SGMagSpinBox from G2phsGUI to G2ctrlGUI
add selection of spin …
|
|
|
|
@3395
|
5 years |
vondreele |
implement import of lattice parameters & space group info into Unit …
|
|
|
|
@3394
|
5 years |
vondreele |
implement "Load Unit Cell" from phase on phase list to Unit Cell for …
|
|
|
|
@3391
|
5 years |
vondreele |
fix copy of Instrument parameters to not copy the Azimuth
|
|
|
|
@3365
|
5 years |
vondreele |
remove qplot,dplot, etc from PWDR data[0] dict - weren't ever used …
|
|
|
|
@3357
|
5 years |
vondreele |
fix problem of input cell a in hexagonal in Unit Cells window. Now …
|
|
|
|
@3356
|
5 years |
vondreele |
remove commented out SetTitle? & SetLabel? for data window from various …
|
|
|
|
@3355
|
5 years |
toby |
name main & plot window against project name, remove other SetTitle? calls
|
|
|
|
@3348
|
5 years |
vondreele |
add new configuration for selecting instprm first
add save.load for …
|
|
|
|
@3338
|
5 years |
vondreele |
fix SpnFlp? issues for mcif imports - had messed up mag structure …
|
|
|
|
@3337
|
5 years |
vondreele |
fixes to MagStructureFactor2use ValidatedTxYctrl? for unit cell input …
|
|
|
|
@3264
|
5 years |
toby |
deal with lack of BackFile? for older GPX files
|
|
|
|
@3260
|
5 years |
toby |
misc Py3 fixes
|
|
|
|
@3248
|
5 years |
vondreele |
fix powder peaks input/display/indexing
fix issue with hkl display on …
|
|
|
|
@3245
|
5 years |
vondreele |
fix problem with incommensurate magnetic structures from CIFhklReader …
|
|
|
|
@3234
|
5 years |
vondreele |
new G2spc.SSChoice routine finds all allowed super space group symbols …
|
|
|
|
@3231
|
5 years |
vondreele |
fix bug in IndexPeaks? display
fix import pypowder issue in G2math
fix …
|
|
|
|
@3228
|
5 years |
toby |
fix rename of PWDR entries
|
|
|
|
@3227
|
5 years |
vondreele |
incommensurate ndexing changes & fixes
|
|
|
|
@3226
|
5 years |
toby |
Add error for fixed point fit w/no points
|
|
|
|
@3193
|
5 years |
toby |
better error msg w/o calibrant; search comments when Sample Parameters …
|
|
|
|
@3191
|
5 years |
vondreele |
fix integer divides in responding to unit cell changes on Unit Cells …
|
|
|
|
@3175
|
5 years |
vondreele |
correct plotting errors in PlotPeakWidths?, add cursor report of …
|
|
|
|
@3173
|
5 years |
vondreele |
ensure limits on multiple powder patterns from integration are …
|
|
|
|
@3171
|
5 years |
vondreele |
fix missing window size parameter
changes to super symmetry selection stuff
|
|
|
|
@3157
|
6 years |
vondreele |
add Lorentzian term 'Z' to CW profile instrument parameters - constant …
|
|
|
|
@3155
|
6 years |
vondreele |
Fix integer divide issue in OnCellChange? in G2pwdGUI
|
|
|
|
@3136
|
6 years |
vondreele |
make GSAS-II python 3.6 compliant & preserve python 2.7 use;changes: …
|
|
|
|
@3101
|
6 years |
vondreele |
change SetScrollRate?(1,1) to SetScrollRate?(10,10) - improves scrolling …
|
|
|
|
@3096
|
6 years |
toby |
fix fixed background refinement
|
|
|
|
@3070
|
6 years |
vondreele |
implement use of background pattern for PWDR data.
Used for plot & …
|
|
|
|
@3063
|
6 years |
vondreele |
improve auto peak search - tuning both lower limit & overlap rejection
|
|
|
|
@3037
|
6 years |
vondreele |
remove a stray status text()
get rid of wx.EXPAND for Sample …
|
|
|
|
@3023
|
6 years |
odonnell |
remove wx dependency for GSASIIscriptable
|
|
|
|
@3000
|
6 years |
toby |
make the two frame version the trunk as we hit version 3000
|
|
|
|
@2846
|
6 years |
vondreele |
implement SVD inversion (Moore Penrose invert routine) in Hessian LSQ …
|
|
|
|
@2820
|
6 years |
vondreele |
PWDR import now scriptable for single bank patterns
|
|
|
|
@2817
|
6 years |
vondreele |
major revision - move all importers to GSASIIobj & make them …
|
|
|
|
@2808
|
6 years |
vondreele |
small fixes to reflectometry calcs.
fix Hessian restraint bug - wrong …
|
|
|
|
@2802
|
6 years |
toby |
updates for doc build
|
|
|
|
@2788
|
6 years |
vondreele |
make I/Ib floats in ImageCalibrants?.py
fix issue for SASD seq. …
|
|
|
|
@2786
|
6 years |
vondreele |
fix seq REFD results display
fix 'Rough' problems
|
|
|
|
@2785
|
6 years |
vondreele |
add a fit all option for REFD patterns
|
|
|
|
@2783
|
6 years |
vondreele |
include imports/G2rfd_xye.py
implement instrument smearing of …
|
|
|
|
@2782
|
6 years |
vondreele |
add autoscaling to autointegration
impose check on rescale limits - …
|
|
|
|
@2780
|
6 years |
vondreele |
add .chi file importer to the .xye importer
implement rescaling of …
|
|
|
|
@2777
|
6 years |
vondreele |
implement import of getPDFx G(R) files NB: these have no matching PWDR …
|
|
|
|
@2776
|
6 years |
vondreele |
add a number of materials to Substances.py
implement multilayer …
|
|
|
|
@2774
|
6 years |
vondreele |
implement MC/SA for reflectometry
more image importer speed ups
|
|
|
|
@2772
|
6 years |
vondreele |
do some speedups of image tiff readers
Modify PlotXY so it sort of …
|
|
|
|
@2771
|
6 years |
vondreele |
fix copy model problem
|
|
|
|
@2770
|
6 years |
vondreele |
fix import new phase behavior - wasn't finishing properly
fix HKL …
|
|
|
|
@2768
|
6 years |
toby |
crash on Bravais lattice selection
|
|
|
|
@2767
|
6 years |
vondreele |
make clearer H->R & R->H transformation labels
implement generic unit …
|
|
|
|
@2766
|
6 years |
vondreele |
add display of optional vertical lines to PlotXY (used for …
|
|
|
|
@2763
|
6 years |
vondreele |
add plotting of reflectometry model scattering profiles
add magnetic …
|
|
|
|
@2762
|
6 years |
vondreele |
fix sequential peak fit display
fix window crash issue in …
|
|
|
|
@2758
|
6 years |
vondreele |
implement L-BFGS-B and basinhopping (preliminary) minimizers for …
|
|
|
|
@2757
|
6 years |
vondreele |
workable reflectometry fitting by Levenberg-Marquart least squares.
|
|
|
|
@2755
|
6 years |
vondreele |
extend Export HKLs for powder data to include most all columns in …
|
|
|
|
@2754
|
6 years |
vondreele |
fix "off-by-one" problem in powder profiles; calc missed last point - …
|
|
|
|
@2753
|
6 years |
vondreele |
minor shuffling about for atom constraints - no discernable impact …
|
|
|
|
@2749
|
6 years |
vondreele |
fix issues with HKLF reflection displays
|
|
|
|
@2744
|
6 years |
vondreele |
delt-G(R) cleanup
|
|
|
|
@2740
|
6 years |
vondreele |
fix issue with optimizing PDFs without Sample Bkg.
Finish implementing …
|
|
|
|
@2739
|
6 years |
vondreele |
comment out "other self-updating plots" - caused failures in GSASII.py …
|
|
|
|
@2735
|
6 years |
vondreele |
set default flight path = 20. in case FPATH0 missing from TOF Iparm …
|
|
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|
