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|
@3913
|
6 years |
toby |
Update Rietveld cycle-by-cycle
|
|
|
|
@3855
|
6 years |
toby |
major speed up with very big sequential fits
|
|
|
|
@3845
|
6 years |
toby |
more sequential timing; doc fixes for scriptable
|
|
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|
@3839
|
6 years |
vondreele |
add some timing for plot patterns - controlled by showTiming
more inn. …
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|
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|
@3838
|
6 years |
toby |
fix previous
|
|
|
|
@3836
|
6 years |
toby |
add timing for SeqRef?; error msg for unlinked hists in scriptable
|
|
|
|
@3764
|
6 years |
vondreele |
fixes to nonFourier modulation & derivatives - zigzag works
|
|
|
|
@3748
|
7 years |
toby |
add missing rigid body params to seq. ref
|
|
|
|
@3732
|
7 years |
toby |
more fixes for constraint refactor
|
|
|
|
@3731
|
7 years |
toby |
seq ref constraint dict corrected
|
|
|
|
@3711
|
7 years |
toby |
major constraint update: move conflicting equivs to constraints; allow …
|
|
|
|
@3579
|
7 years |
vondreele |
fix transformation error for mag cells
disable formation of magnetic …
|
|
|
|
@3471
|
7 years |
toby |
repair to "fix these"/seq. ref. code
|
|
|
|
@3447
|
7 years |
toby |
fix seq ref constraint numbering bug; fix use if HAP vars in PSvars & …
|
|
|
|
@3413
|
7 years |
vondreele |
modify RefineCore? & Refine/SeqRefine? to use ifSeq parameter instead of …
|
|
|
|
@3378
|
7 years |
vondreele |
fix seq refine movie of structure
fix hide columns in seq table - …
|
|
|
|
@3377
|
7 years |
vondreele |
revise sequential refinement to retain previous runs & update those …
|
|
|
|
@3371
|
7 years |
toby |
constraint fixes: implement wild-card equivalences, fix use of all for …
|
|
|
|
@3369
|
7 years |
vondreele |
make import Bruker raw python 3 compatible
revise testDeriv & …
|
|
|
|
@3318
|
7 years |
vondreele |
fix problem with GenAtm? - now has spin flip in result.
|
|
|
|
@3136
|
8 years |
vondreele |
make GSAS-II python 3.6 compliant & preserve python 2.7 use;changes: …
|
|
|
|
@3100
|
8 years |
vondreele |
implement fix FXU for sequential refinements
|
|
|
|
@3095
|
8 years |
vondreele |
add new confit parm: Show_timing
enable editing of the Use column in …
|
|
|
|
@3068
|
8 years |
vondreele |
fix parameter display to show nan (crashed before)
trap with error if …
|
|
|
|
@3049
|
8 years |
toby |
reset InitMP after SelectConfigSetting?.OnApplyChanges? to allow number …
|
|
|
|
@3041
|
8 years |
toby |
Fully implement multiprocessing on reflection loops, but currently …
|
|
|
|
@3023
|
8 years |
odonnell |
remove wx dependency for GSASIIscriptable
|
|
|
|
@3007
|
8 years |
odonnell |
G2Project.refine does not back up, refactored phase/histogram access, …
|
|
|
|
@3000
|
8 years |
toby |
make the two frame version the trunk as we hit version 3000
|
|
|
|
@2926
|
8 years |
toby |
fix import & switch msg
|
|
|
|
@2894
|
8 years |
toby |
speed derivative computation; add commented timing code
|
|
|
|
@2877
|
8 years |
toby |
Plot each histogram after fitting in a sequential refinement
|
|
|
|
@2876
|
8 years |
toby |
allow variables to change during seq. ref.; fix error w/unused phases
|
|
|
|
@2874
|
8 years |
toby |
Sequential refinement fixes where # of phases change
|
|
|
|
@2854
|
8 years |
vondreele |
implement Hessian SVD refinement option (no Levenberg-Marquardt). …
|
|
|
|
@2847
|
8 years |
vondreele |
turn off debug in TIF reader
provide better(?) trap for LinAlgErrors? …
|
|
|
|
@2846
|
8 years |
vondreele |
implement SVD inversion (Moore Penrose invert routine) in Hessian LSQ …
|
|
|
|
@2824
|
8 years |
vondreele |
fix 2D strain d-zero calc
set Refine dlg=None default for easier …
|
|
|
|
@2721
|
8 years |
vondreele |
fix pseudo variable issues when some vals are None
fix problem of …
|
|
|
|
@2717
|
8 years |
vondreele |
|
|
|
|
@2713
|
8 years |
vondreele |
avoid extraneous holds @ line 405 in GSASIIstrMain.py
|
|
|
|
@2698
|
8 years |
vondreele |
work over sequentia fit stuff - allow all parameters shown in table to …
|
|
|
|
@2557
|
8 years |
toby |
Fix sequential refinement with not-ready histograms
|
|
|
|
@2546
|
9 years |
vondreele |
cleanup of all GSASII main routines - remove unused variables, dead …
|
|
|
|
@2500
|
9 years |
vondreele |
protect a dlg in DoIndexPeaks?
fix a lost G2frame.LimitsTable? - need to …
|
|
|
|
@2487
|
9 years |
vondreele |
fix unit cell search range for bond distance & angle restraints
fix …
|
|
|
|
@2481
|
9 years |
vondreele |
force Transform to delete nonmagnetic atoms if phase made magnetic & …
|
|
|
|
@2478
|
9 years |
vondreele |
work up to magnetic structure factor calcs.
|
|
|
|
@2466
|
9 years |
vondreele |
implement user entered starting Marquardt lambda value (order of …
|
|
|
|
@2450
|
9 years |
vondreele |
fix error in matrix in getCellEsd & RetDistAngle?
Add new atom drawing …
|
|
|
|
@2448
|
9 years |
vondreele |
fix error in getCellEsd - bad v*mat*v inner product. Cell esds now OK
|
|
|
|
@2447
|
9 years |
toby |
fix/cleanup 'Reverse Seq'
|
|
|
|
@2427
|
9 years |
vondreele |
forgot one
|
|
|
|
@2364
|
9 years |
vondreele |
fix spelling of 'p::Vol' in G2grid.
|
|
|
|
@2275
|
9 years |
vondreele |
add warning for high Levenberg-Marquardt lambda.
|
|
|
|
@2126
|
9 years |
vondreele |
add laueUnique to G2lattice for reindexing hkls to just unique Laue …
|
|
|
|
@2091
|
9 years |
vondreele |
fix phase name problem with '(' and ')'
|
|
|
|
@2067
|
10 years |
vondreele |
Refactor SS modulation & deriv functions - split nonHKLM part from …
|
|
|
|
@2066
|
10 years |
vondreele |
fix problem displaying sym. ops. for triclinic
|
|
|
|
@1896
|
10 years |
vondreele |
add auto constraint for TwinFr? sum = 1.0
fix TwinFr? derivative - now …
|
|
|
|
@1886
|
10 years |
vondreele |
refactor StructureFactor2 & StructureFactorDerv? for twinning - deriv …
|
|
|
|
@1852
|
10 years |
vondreele |
addmtexture analysis tutorial to list in G2ctrls
remove Clear Texture …
|
|
|
|
@1841
|
10 years |
vondreele |
small fix in ExportCells?
seqRefine now ignores phase texture
|
|
|
|
@1835
|
10 years |
vondreele |
fix problem with deleting/inserting data into phases
fix plot problem …
|
|
|
|
@1819
|
10 years |
toby |
fix constraints for all test cases
|
|
|
|
@1818
|
10 years |
toby |
fix immediate constraint problem; need to double check on skipped …
|
|
|
|
@1813
|
10 years |
vondreele |
revise GSAS-II exception handling - traps user aborts & I hope the bad …
|
|
|
|
@1812
|
10 years |
vondreele |
make new ranId for phases imported from gpx files
eliminate all raise …
|
|
|
|
@1800
|
10 years |
vondreele |
show no. space group extinct reflections in HKLF data - rejected from …
|
|
|
|
@1792
|
10 years |
vondreele |
remove Exceptions from seqRefine; now returns & makes Message dialog …
|
|
|
|
@1782
|
10 years |
vondreele |
fix display of fixed wavelength selection
show no. user rejected refl. …
|
|
|
|
@1772
|
10 years |
vondreele |
fix a copy flags error in DData
add Compute average for columns in Seq …
|
|
|
|
@1770
|
10 years |
vondreele |
moved MultipleChoicesDialog? and SingleChoiceDialog? from G2grid to G2ctrls
|
|
|
|
@1688
|
10 years |
toby |
allow non-identical sequential refinement when copynext is not used …
|
|
|
|
@1643
|
10 years |
vondreele |
fix input of TOF hkl data
fix bond angle calculations
fix 2D & 3D hkl …
|
|
|
|
@1625
|
10 years |
vondreele |
add a parameter to result from G2stIO.GetPhaseData?
add modulation …
|
|
|
|
@1550
|
11 years |
vondreele |
turn off a DEBUG
|
|
|
|
@1539
|
11 years |
vondreele |
fix GOF & more supercell stuff
|
|
|
|
@1531
|
11 years |
vondreele |
fix getVCOV; nonexistant parms return zero.
fix space group output in …
|
|
|
|
@1493
|
11 years |
vondreele |
set move=True for GenAtom? call for FillUnitCell?
show bin width in …
|
|
|
|
@1491
|
11 years |
vondreele |
DEBUG = False & remove stray print
TOF single xtal extinction & …
|
|
|
|
@1489
|
11 years |
vondreele |
correct Uij to U6 conversions Uij = Uk/2 for i != j; k > 2 in …
|
|
|
|
@1474
|
11 years |
vondreele |
1st MC/SA tutorial
various MC/SA fixes
fix to background peak fitting …
|
|
|
|
@1462
|
11 years |
vondreele |
add sig-2 to TOF profile coeff.
new d-spacing plot option
|
|
|
|
@1461
|
11 years |
vondreele |
modify xye import to not divide by CW (channel width)for TOF data. NB: …
|
|
|
|
@1335
|
11 years |
toby |
Redo pseudovar computation to handle constraint-generated vars
|
|
|
|
@1299
|
11 years |
toby |
Set conf flags consistently for .py files
|
|
|
|
@1297
|
11 years |
vondreele |
setup sequential small angle refinements & display
includes copy & …
|
|
|
|
@1291
|
11 years |
toby |
add Rfactors to SeqRef?; check variables for consistency after constraints
|
|
|
|
@1289
|
11 years |
toby |
Fix bug in copy of histogram parms on Copy Next
|
|
|
|
@1282
|
11 years |
toby |
sequential refinement updates
|
|
|
|
@1248
|
11 years |
vondreele |
add setscale for SASD data
don't square the 1/cos(2-theta) correction …
|
|
|
|
@1247
|
11 years |
toby |
allow wildcarded-histogram constraint input; implement for seq refinements
|
|
|
|
@1243
|
11 years |
toby |
fix constraints use in sequential refinements
|
|
|
|
@1242
|
11 years |
vondreele |
minor mods to sequential refinement print controls output
|
|
|
|
@1241
|
11 years |
vondreele |
copy next now allows reverse & skipped histograms
|
|
|
|
@1240
|
11 years |
vondreele |
add control for copying parms from one histogram to next in a …
|
|
|
|
@1239
|
11 years |
vondreele |
wx.ALIGN_CENTER_VERTICAL to WACV in G2ddataGUI
fix data frame size for …
|
|
|
|
@1238
|
11 years |
toby |
improve seq. ref. error msg; add debug printing
|
|
|
|
@1143
|
12 years |
toby |
rework constraints to handle names and refine flag for new var (input …
|
|
|
|
