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@1242
|
11 years |
vondreele |
minor mods to sequential refinement print controls output
|
|
|
@1181
|
11 years |
toby |
bypass format bug, add histogram prms to parmDict, more docs
|
|
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@1175
|
11 years |
vondreele |
add surface roughness (Surotti model) to Bragg-Brentano sample …
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@1160
|
12 years |
toby |
finish ISODISPLACE fixes; improve show var window; improve help …
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|
|
@1145
|
12 years |
toby |
move DefaultControls? out of g2grid to avoid wx requirement; now import …
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|
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@1144
|
12 years |
vondreele |
fix bug in GetControls?
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|
|
@1143
|
12 years |
toby |
rework constraints to handle names and refine flag for new var (input …
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|
|
@1141
|
12 years |
toby |
minor tweaks: move indexing of Ids to histogram load, remove Type from …
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|
|
@1138
|
12 years |
toby |
major constraints revision
|
|
|
@1137
|
12 years |
vondreele |
allow a 'None' for image calibrant to facilitate fitting single rings …
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|
|
@1125
|
12 years |
vondreele |
StructureFactor2 does SF calculation for entire block of reflection - …
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|
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@1110
|
12 years |
vondreele |
removed Uniq % Phi from reflection data structure - make locally …
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|
|
@1107
|
12 years |
vondreele |
make reflist np.array
fix bug - hfx+'Type' needs to be in parmDict
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|
|
@1106
|
12 years |
vondreele |
modify reflection array to be a dictionary with 4 items: RefList?, …
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|
|
@1078
|
12 years |
vondreele |
fix a single crystal blunder
|
|
|
@1077
|
12 years |
toby |
cleanup plot & svn bugs; set missing keywords; CIF export done; update docs
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|
|
@1057
|
12 years |
toby |
reorg UserCalibrants? into ImageCalibrants?; Add trim (whitespace) …
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|
|
@1053
|
12 years |
toby |
fix mask with no excluded regions
|
|
|
@1045
|
12 years |
vondreele |
fix Fourier map problems - didn't like Fo<0.
use ErrorDialog? for some …
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|
|
@1042
|
12 years |
vondreele |
fixed HKLF data bug
|
|
|
@1038
|
12 years |
vondreele |
more work on residuals & cif files
|
|
|
@1030
|
12 years |
vondreele |
mods to CIF export
add residuals to histogram GUI
save histogram …
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|
|
@1025
|
12 years |
vondreele |
fix excluded region problems
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|
|
@1021
|
12 years |
toby |
more digits in size
|
|
|
@1018
|
12 years |
vondreele |
a tweak of the excluded regions stuff
|
|
|
@1017
|
12 years |
vondreele |
implement excluded regions - 1st attempt
|
|
|
@989
|
12 years |
toby |
add constraint derivs for single xtal; allow cellFill to work without …
|
|
|
@981
|
12 years |
toby |
introduce regress option; fix esd printing; more docs; new Mac app …
|
|
|
@960
|
12 years |
toby |
check in CIF dev snapshot
|
|
|
@953
|
12 years |
vondreele |
fixes to RB refinement & MC/SA
|
|
|
@946
|
12 years |
toby |
update self-docs, start work on constraints object
|
|
|
@942
|
12 years |
vondreele |
mods for MC/SA:
moved scat fac routines from GSASIIstrIO.py & …
|
|
|
@939
|
12 years |
toby |
fix & cleanup unit tests; add/change doc strings for sphinx; add all …
|
|
|
@934
|
12 years |
vondreele |
changes for MC/SA
|
|
|
@926
|
12 years |
vondreele |
split GSASIIstruct.py into 3 pieces
|