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@997
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10 years |
vondreele |
implement export of hkl files extracted from powder data
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@945
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10 years |
vondreele |
some mods for POWGEN data for single peak fitting
unify profile parm …
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@939
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10 years |
toby |
fix & cleanup unit tests; add/change doc strings for sphinx; add all …
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@808
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11 years |
vondreele |
Add Babinet modification to form factors - works OK
Use atom Ids for …
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@803
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11 years |
vondreele |
GSASIImath.py: map search gives mag in name, & change a looping form …
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@801
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11 years |
vondreele |
fix TOF peak fitting - needed cw*derivs
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@798
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11 years |
vondreele |
more peak fitting work including TOF
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@797
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11 years |
vondreele |
some fixes to TOF stuff
some fixes to SXC stuff
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@796
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11 years |
vondreele |
revise instrument parameters (again); now two dictionaries
revise key …
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@795
|
11 years |
vondreele |
implement TOF input, peak search & fitting
auto peak search
convert …
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@794
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11 years |
vondreele |
still more iparm fixes - maybe that's all of them?
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@762
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11 years |
toby |
update py files to use native line ends, add update from svn to help …
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@747
|
11 years |
vondreele |
fix to Pawley estimate - subtract background
get neg weight on penalty …
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@736
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11 years |
vondreele |
add space group choice to cell indexing page
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@679
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11 years |
vondreele |
add Debye-Scherrer absorption to refinement
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@668
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11 years |
vondreele |
add properties
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@661
|
11 years |
toby |
complete revision number tracking
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@656
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11 years |
vondreele |
fix Debye background model
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@655
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11 years |
vondreele |
implement single peak fits for background
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@650
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11 years |
vondreele |
now reads Rayonix MX300HE tiff files
working on peaksUnique
bit of …
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@648
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11 years |
vondreele |
1st stab at a unique atoms picker - mostly GUI
format fix for …
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@482
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11 years |
vondreele |
move FileDlgFixExt? to G2IO
begin to add a save selected seq results to …
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@453
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11 years |
vondreele |
refactor GSASIIgrid
new Hessian based least squares
new GSASIImath.py …
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@447
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11 years |
vondreele |
Add another variation on background - individual peaks (not finished) …
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@446
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11 years |
vondreele |
continue refactoring of GSASIIgrid.py - DrawAtoms?
fix error in …
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@443
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11 years |
vondreele |
make sum powder profiles numpy arrays
change name UpdateBackgroundGrid? …
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@432
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12 years |
vondreele |
remove test prints from GSASIIIO
new Gmat2AB routine
work on the DData …
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@429
|
12 years |
vondreele |
set 'browser' as default help display
fix zero & zero offset to be …
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@411
|
12 years |
vondreele |
fix very old (!) bug in psvfcj.for
implement neutron scattering …
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@376
|
12 years |
vondreele |
fix intensity type derivatives - scale, polarization, pref. ori., etc.
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@375
|
12 years |
vondreele |
GSASIIgrid.py - add Pawley estimator to menu
GSASIIlattice.py - fix …
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@373
|
12 years |
vondreele |
new covariance item in tree
new covariance matrix plotting
save cov …
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@372
|
12 years |
vondreele |
Add new background functions & rework background GUI
Add hydrostatic …
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@358
|
12 years |
vondreele |
small fixes
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@357
|
12 years |
vondreele |
GSASIIpwd.py - add polarization derivative
GSASIIstruct.py - almost …
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@355
|
12 years |
vondreele |
done with peak fitting
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@354
|
12 years |
vondreele |
more cleanup of derivatives
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@353
|
12 years |
vondreele |
modify psvfcj.for to use sh/l only
add derivative routine to …
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@350
|
12 years |
vondreele |
implement fortran psVoigt routine - faster by 2X over python fft version
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@345
|
12 years |
vondreele |
put new banner in GSASII.BAT
fix for vertical tilt & offset images …
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@343
|
12 years |
vondreele |
cosmetic
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@342
|
12 years |
vondreele |
major modifications to get 1st "working" version of Refine
Add …
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@335
|
12 years |
vondreele |
Add delete Pawley list; scratch "leBail" from things
mods to texture …
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@315
|
12 years |
toby |
new scons file for compiling (needs linux & win work); update …
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@311
|
12 years |
vondreele |
finish new indexing refinement stuff
more on texture plotting
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@309
|
12 years |
vondreele |
change name of "plot" to GSASIItestplot
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@303
|
12 years |
vondreele |
Allow reading of xye (Topas style) files
Begin implementation of …
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@301
|
12 years |
vondreele |
Add cancel to progress bar & associated things to make it work
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@299
|
12 years |
vondreele |
Add progress bar to peak fit
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@296
|
12 years |
vondreele |
major change to peak fitting in GSASIIpwd.py & GSASIIpwdGUI.py
"Auto …
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@292
|
12 years |
vondreele |
allow more than one phase for calibration
fix temperature reading from …
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@289
|
12 years |
vondreele |
|
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@275
|
12 years |
vondreele |
use interp1d instead of griddata
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@272
|
12 years |
vondreele |
add slider for "Ruland" coeff.
add 'o' option for undoing offset in …
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@271
|
12 years |
vondreele |
make g77 versions of fortran for binwin2.7 - faster than gfortran!
fix …
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@269
|
12 years |
vondreele |
rename from GSASIIpeak.py
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