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@3345
|
7 years |
toby |
rework ValidatedTextCtrl? so that typeHint overrides the initial …
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@3298
|
7 years |
toby |
add publication quality Rietveld plots
|
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@3284
|
7 years |
vondreele |
fix auto PDF if no formula given; assumes 'C 1.0'; put in missing …
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@3231
|
7 years |
vondreele |
fix bug in IndexPeaks? display
fix import pypowder issue in G2math
fix …
|
|
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|
@3187
|
7 years |
toby |
misc docs cleanups; add 1-ID metadata reader & new config variable
|
|
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|
@3151
|
8 years |
vondreele |
male all default image pixel sizes [200.,200.] so ValidatedTxtCtrl? …
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@3137
|
8 years |
vondreele |
replace old CifFile? with new py 2/7/3.6 compliant code
fix cif file …
|
|
|
|
@3136
|
8 years |
vondreele |
make GSAS-II python 3.6 compliant & preserve python 2.7 use;changes: …
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|
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@3095
|
8 years |
vondreele |
add new confit parm: Show_timing
enable editing of the Use column in …
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@3062
|
8 years |
vondreele |
make minF/sig floating pt by default
|
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@3061
|
8 years |
toby |
sort variable names
|
|
|
|
@3041
|
8 years |
toby |
Fully implement multiprocessing on reflection loops, but currently …
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|
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@3023
|
8 years |
odonnell |
remove wx dependency for GSASIIscriptable
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|
@3000
|
8 years |
toby |
make the two frame version the trunk as we hit version 3000
|
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@2894
|
8 years |
toby |
speed derivative computation; add commented timing code
|
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@2871
|
8 years |
vondreele |
change ContourColor? default back to Paired even if it is 12 color …
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@2863
|
8 years |
vondreele |
extend contour color selection to include reversed ones (doubles the …
|
|
|
|
@2846
|
8 years |
vondreele |
implement SVD inversion (Moore Penrose invert routine) in Hessian LSQ …
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|
|
|
@2845
|
8 years |
toby |
fix for readthedocs (import without full set of packages
|
|
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|
@2844
|
8 years |
toby |
fix for readthedocs (import without full set of packages
|
|
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|
@2835
|
8 years |
vondreele |
add self.scriptable=False to ImportBaseClass?
set it True in various …
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|
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|
@2820
|
8 years |
vondreele |
PWDR import now scriptable for single bank patterns
|
|
|
|
@2818
|
8 years |
vondreele |
add GetPhaseNames?(fl) to G2obj - uses opened gpx file
fix …
|
|
|
|
@2817
|
8 years |
vondreele |
major revision - move all importers to GSASIIobj & make them …
|
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|
@2765
|
8 years |
toby |
formatting changes for docs; add debug to conf.py
|
|
|
|
@2764
|
8 years |
toby |
formatting changes for docs; add debug to conf.py
|
|
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@2727
|
8 years |
vondreele |
fix issue with formula volume in PDF creation
block Lebail selection …
|
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@2721
|
8 years |
vondreele |
fix pseudo variable issues when some vals are None
fix problem of …
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|
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|
@2708
|
8 years |
vondreele |
removed 'Add' fromPDF default file items
add 'Refine' for Sample Bkg …
|
|
|
|
@2705
|
8 years |
vondreele |
fix 'Area detector' from 'Image plate' issue.
|
|
|
|
@2698
|
8 years |
vondreele |
work over sequentia fit stuff - allow all parameters shown in table to …
|
|
|
|
@2695
|
8 years |
vondreele |
use min(intensity) as default for PDF Flat Bkg - gives better start …
|
|
|
|
@2692
|
8 years |
toby |
don't allow duplicate PDF entries; PWDR and PDF names must match.
|
|
|
|
@2688
|
8 years |
vondreele |
sequential PDF peak fitting now implemented
|
|
|
|
@2675
|
8 years |
toby |
Make new PDF names unique; plot G(r); minor fixes
|
|
|
|
@2667
|
8 years |
toby |
prevent Unicode in data tree names; move PDF setup to standalone routine
|
|
|
|
@2546
|
9 years |
vondreele |
cleanup of all GSASII main routines - remove unused variables, dead …
|
|
|
|
@2504
|
9 years |
vondreele |
fix typo in G2VarObj repr 'str' not 'self'
set correct Scale for …
|
|
|
|
@2473
|
9 years |
vondreele |
work on magnetic structures - import from EXP, plotting, LS refine …
|
|
|
|
@2433
|
9 years |
toby |
update for sequential export
|
|
|
|
@2363
|
9 years |
toby |
fix minor bugs in sequential refinement
|
|
|
|
@2329
|
9 years |
vondreele |
sequential table distance & angle now OK, esds for distance OK, non …
|
|
|
|
@2327
|
9 years |
vondreele |
dist & angles now work for seq results table; esds are fake
|
|
|
|
@2326
|
9 years |
vondreele |
add more to angle calc
|
|
|
|
@2323
|
9 years |
toby |
prepare to calc s.u. for distance pseudo vars
|
|
|
|
@2318
|
9 years |
vondreele |
Add atom-atom distance to seq results table - needs debugging
|
|
|
|
@2316
|
9 years |
toby |
prototype distance calc.
|
|
|
|
@2308
|
9 years |
vondreele |
add sp.shell model or SASD - Thx to L.A, Avakyan
fix (again) page …
|
|
|
|
@2062
|
10 years |
vondreele |
exclude non variable SS parms from constraint lists
define ZigZag? & …
|
|
|
|
@1924
|
10 years |
vondreele |
work on H-atom riding constraints
extend "short" phase names to full …
|
|
|
|
@1915
|
10 years |
vondreele |
start on riding constraints - works for atom frac,x,y,z; skipping u's …
|
|
|
|
@1884
|
10 years |
vondreele |
remove some unused imports
add merohedral/pseudomerohedral Twin Laws …
|
|
|
|
@1875
|
10 years |
vondreele |
add Flack parameter to GUI (commented out for now)
|
|
|
|
@1833
|
10 years |
toby |
prev. ver. also fixed linux menu problem; missed one doc correction
|
|
|
|
@1832
|
10 years |
toby |
bug fix in unused grid code; doc fixes and cleanup
|
|
|
|
@1813
|
10 years |
vondreele |
revise GSAS-II exception handling - traps user aborts & I hope the bad …
|
|
|
|
@1802
|
10 years |
vondreele |
change 'all' to 'Seq. ref.' for '*' items in variable lists
remove …
|
|
|
|
@1790
|
10 years |
vondreele |
remove unused FORPI from G2strMath
New fitTexture routine to use seq …
|
|
|
|
@1698
|
10 years |
toby |
Allow powder data importers to set Controls values (such as FreePrm? …
|
|
|
|
@1625
|
10 years |
vondreele |
add a parameter to result from G2stIO.GetPhaseData?
add modulation …
|
|
|
|
@1614
|
10 years |
vondreele |
Fix PDF plots & PDF Controls window issue
SS names now fixed
LS input …
|
|
|
|
@1606
|
10 years |
vondreele |
more FillAtomLookUp? errors
a few more orthorhombic SS symbols
some …
|
|
|
|
@1604
|
10 years |
vondreele |
make modulation wave maps
fix atom index bugs
begin modulated …
|
|
|
|
@1600
|
10 years |
vondreele |
atom ids in G2obj
|
|
|
|
@1595
|
11 years |
vondreele |
change ValEsd? to round at 3.16228 =sqrt(10); same as old GSAS
add mod. …
|
|
|
|
@1496
|
11 years |
vondreele |
Add sequential peak fitting.
Change Back:n to Back;n for background …
|
|
|
|
@1456
|
11 years |
vondreele |
consolidate HKLF parts of dervRefine & HessRefine? into new routine dervHKLF
|
|
|
|
@1453
|
11 years |
vondreele |
get HKLF data type into RefDict?
create a SetDefaultDData routine in …
|
|
|
|
@1402
|
11 years |
vondreele |
make pseudovariables work for strain seq. results
fix Pos2dsp for TOF …
|
|
|
|
@1390
|
11 years |
toby |
revise start, sort out phase fraction vs scale factor label, add …
|
|
|
|
@1387
|
11 years |
vondreele |
fixes to seq display for strain refinements
get sign right on strain calcs
|
|
|
|
@1373
|
11 years |
toby |
minor source documention fixes
|
|
|
|
@1359
|
11 years |
vondreele |
start allowing reading of multiple HKLF files.
put an IndexAllIds? into …
|
|
|
|
@1340
|
11 years |
toby |
complete parametric fitting and tutorial
|
|
|
|
@1338
|
11 years |
vondreele |
put in SASD parameter descriptions in CompileVarDesc?; required mods …
|
|
|
|
@1335
|
11 years |
toby |
Redo pseudovar computation to handle constraint-generated vars
|
|
|
|
@1332
|
11 years |
vondreele |
undo "correction" to line 1887 on G2obj; fix was applied elsewhere. …
|
|
|
|
@1331
|
11 years |
vondreele |
fix cake integration problem - in G2IO return in wrong indent
fix seq …
|
|
|
|
@1322
|
11 years |
toby |
rework pseudovars and parametric fitting; remove step size for …
|
|
|
|
@1312
|
11 years |
toby |
Parametric fit; work on PseudoVars? (more 2 come); minor code cleanups
|
|
|
|
@1298
|
11 years |
toby |
Start on parametric fitting; Time for new manual; fix minor formatting
|
|
|
|
@1294
|
11 years |
toby |
fix pseudo var bugs
|
|
|
|
@1287
|
11 years |
toby |
Seq Ref: add pseudo var; open Seq Ref after refinement; highlight …
|
|
|
|
@1282
|
11 years |
toby |
sequential refinement updates
|
|
|
|
@1247
|
11 years |
toby |
allow wildcarded-histogram constraint input; implement for seq refinements
|
|
|
|
@1244
|
11 years |
vondreele |
fix geometric correction in integrate - too many 1/cos(2-theta)
plot …
|
|
|
|
@1236
|
11 years |
toby |
Add FXYE & XYE exporters; allow multiple powder exports; fix …
|
|
|
|
@1227
|
11 years |
toby |
fix dumb error in variable name parsing
|
|
|
|
@1214
|
11 years |
toby |
fix use of RB vars in G2VarObj, etc.; Add select tab to restraints
|
|
|
|
@1209
|
11 years |
toby |
line up columns in parameter selection boxes; add a filter for …
|
|
|
|
@1202
|
11 years |
toby |
further refinements on ValidatedTxtCtrl?; update G2VarObj to allow …
|
|
|
|
@1192
|
11 years |
vondreele |
modify docs for stress strain stuff
add True vs Conventional strain …
|
|
|
|
@1182
|
11 years |
vondreele |
|
|
|
|
@1181
|
11 years |
toby |
bypass format bug, add histogram prms to parmDict, more docs
|
|
|
|
@1179
|
11 years |
vondreele |
|
|
|
|
@1168
|
11 years |
toby |
update imports to provide error messages
|
|
|
|
@1147
|
12 years |
toby |
Complete initial ISODISPLACE implementation; mod. phase …
|
|
|
|
@1145
|
12 years |
toby |
move DefaultControls? out of g2grid to avoid wx requirement; now import …
|
|
|
|
@1141
|
12 years |
toby |
minor tweaks: move indexing of Ids to histogram load, remove Type from …
|
|
|
|
@1138
|
12 years |
toby |
major constraints revision
|
|
|
|
