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@2126
|
9 years |
vondreele |
add laueUnique to G2lattice for reindexing hkls to just unique Laue …
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@2091
|
9 years |
vondreele |
fix phase name problem with '(' and ')'
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@2067
|
10 years |
vondreele |
Refactor SS modulation & deriv functions - split nonHKLM part from …
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@2066
|
10 years |
vondreele |
fix problem displaying sym. ops. for triclinic
|
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@1896
|
10 years |
vondreele |
add auto constraint for TwinFr? sum = 1.0
fix TwinFr? derivative - now …
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@1886
|
10 years |
vondreele |
refactor StructureFactor2 & StructureFactorDerv? for twinning - deriv …
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@1852
|
10 years |
vondreele |
addmtexture analysis tutorial to list in G2ctrls
remove Clear Texture …
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@1841
|
10 years |
vondreele |
small fix in ExportCells?
seqRefine now ignores phase texture
|
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@1835
|
10 years |
vondreele |
fix problem with deleting/inserting data into phases
fix plot problem …
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@1819
|
10 years |
toby |
fix constraints for all test cases
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@1818
|
10 years |
toby |
fix immediate constraint problem; need to double check on skipped …
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@1813
|
10 years |
vondreele |
revise GSAS-II exception handling - traps user aborts & I hope the bad …
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@1812
|
10 years |
vondreele |
make new ranId for phases imported from gpx files
eliminate all raise …
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@1800
|
10 years |
vondreele |
show no. space group extinct reflections in HKLF data - rejected from …
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@1792
|
10 years |
vondreele |
remove Exceptions from seqRefine; now returns & makes Message dialog …
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@1782
|
10 years |
vondreele |
fix display of fixed wavelength selection
show no. user rejected refl. …
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@1772
|
10 years |
vondreele |
fix a copy flags error in DData
add Compute average for columns in Seq …
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@1770
|
10 years |
vondreele |
moved MultipleChoicesDialog? and SingleChoiceDialog? from G2grid to G2ctrls
|
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@1688
|
10 years |
toby |
allow non-identical sequential refinement when copynext is not used …
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@1643
|
10 years |
vondreele |
fix input of TOF hkl data
fix bond angle calculations
fix 2D & 3D hkl …
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@1625
|
10 years |
vondreele |
add a parameter to result from G2stIO.GetPhaseData?
add modulation …
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@1550
|
11 years |
vondreele |
turn off a DEBUG
|
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@1539
|
11 years |
vondreele |
fix GOF & more supercell stuff
|
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@1531
|
11 years |
vondreele |
fix getVCOV; nonexistant parms return zero.
fix space group output in …
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@1493
|
11 years |
vondreele |
set move=True for GenAtom? call for FillUnitCell?
show bin width in …
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@1491
|
11 years |
vondreele |
DEBUG = False & remove stray print
TOF single xtal extinction & …
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@1489
|
11 years |
vondreele |
correct Uij to U6 conversions Uij = Uk/2 for i != j; k > 2 in …
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@1474
|
11 years |
vondreele |
1st MC/SA tutorial
various MC/SA fixes
fix to background peak fitting …
|
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@1462
|
11 years |
vondreele |
add sig-2 to TOF profile coeff.
new d-spacing plot option
|
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@1461
|
11 years |
vondreele |
modify xye import to not divide by CW (channel width)for TOF data. NB: …
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@1335
|
11 years |
toby |
Redo pseudovar computation to handle constraint-generated vars
|
|
|
|
@1299
|
11 years |
toby |
Set conf flags consistently for .py files
|
|
|
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@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 …
|
|
|
|
@1141
|
12 years |
toby |
minor tweaks: move indexing of Ids to histogram load, remove Type from …
|
|
|
|
@1139
|
12 years |
toby |
missing def
|
|
|
|
@1138
|
12 years |
toby |
major constraints revision
|
|
|
|
@1125
|
12 years |
vondreele |
StructureFactor2 does SF calculation for entire block of reflection - …
|
|
|
|
@1077
|
12 years |
toby |
cleanup plot & svn bugs; set missing keywords; CIF export done; update docs
|
|
|
|
@1058
|
12 years |
vondreele |
implement save of Pawley covariances for MC/SA
|
|
|
|
@1028
|
12 years |
toby |
print/export distances & angles
|
|
|
|
@1016
|
12 years |
vondreele |
remove PawleyDelete? - not used
fix floating point error in vcov matrix …
|
|
|
|
@975
|
12 years |
vondreele |
a few mods to HessianLSQ
|
|
|
|
@960
|
12 years |
toby |
check in CIF dev snapshot
|
|
|
|
@956
|
12 years |
toby |
snapshot of CIF dev
|
|
|
|
@955
|
12 years |
vondreele |
fix periodic table (B & Al in wrong column!)
|
|
|
|
@954
|
12 years |
vondreele |
fix to Hessian LSQ to stop if lam > 10e5!
fix to rigid body quaternion …
|
|
|
|
@946
|
12 years |
toby |
update self-docs, start work on constraints object
|
|
|
|
@939
|
12 years |
toby |
fix & cleanup unit tests; add/change doc strings for sphinx; add all …
|
|
|
|
@930
|
12 years |
vondreele |
another missing link
|
|
|
|
@928
|
12 years |
vondreele |
set debug to false
|
|
|
|
@926
|
12 years |
vondreele |
split GSASIIstruct.py into 3 pieces
|
