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@395
|
12 years |
vondreele |
Add goniometer omega, chi & phi to sample data
put SH texture in …
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@391
|
12 years |
vondreele |
set default atom frac=1 for cif files
store covMatrix not normalized …
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@384
|
12 years |
vondreele |
add constraint & restraint items to tree - now empty
fix noncentro …
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@380
|
12 years |
vondreele |
completed Rietveld refinement version
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|
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@379
|
12 years |
vondreele |
finish spherical harmonics preferred orientation
|
|
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@378
|
12 years |
vondreele |
a Pawley intensity fix, format fixes & Sph. Harm PO correction
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|
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@375
|
12 years |
vondreele |
GSASIIgrid.py - add Pawley estimator to menu
GSASIIlattice.py - fix …
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@360
|
12 years |
vondreele |
just backup before trip
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|
|
@353
|
12 years |
vondreele |
modify psvfcj.for to use sh/l only
add derivative routine to …
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|
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@342
|
12 years |
vondreele |
major modifications to get 1st "working" version of Refine
Add …
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@326
|
12 years |
vondreele |
remove cf2py
add inverse polefigure
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|
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@313
|
12 years |
vondreele |
work on texture display & computation
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|
|
@312
|
12 years |
vondreele |
implement refinement of zero point as part of cell refinement
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|
|
@311
|
12 years |
vondreele |
finish new indexing refinement stuff
more on texture plotting
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|
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@303
|
12 years |
vondreele |
Allow reading of xye (Topas style) files
Begin implementation of …
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@296
|
12 years |
vondreele |
major change to peak fitting in GSASIIpwd.py & GSASIIpwdGUI.py
"Auto …
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@264
|
12 years |
vondreele |
begin implementation of pdf generation - work in progress
modify image …
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@230
|
13 years |
vondreele |
add svn keywords & add log intensity plotting
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|
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@193
|
13 years |
vondreele |
various fixes, but still bugs.
GSASII.py - add more sample parameters …
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|
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@189
|
13 years |
vondreele |
change names in GenHKLLaue to conform to general usage
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|
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@166
|
13 years |
vondreele |
fixups of atom editing/atom drawing
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|
|
@164
|
13 years |
vondreele |
more parameters
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|
|
@162
|
13 years |
toby |
change rhomb permutation list to remove Fridel pairs
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|
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@158
|
13 years |
vondreele |
implement drawing options:
select atom hilites
movable test point & …
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|
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@155
|
13 years |
vondreele |
changes for structure drawing
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|
|
@110
|
13 years |
vondreel |
resolved
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|
|
@109
|
13 years |
toby |
fix up GenHLaue
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|
|
@108
|
13 years |
vondreel |
fix to GenHlaue?; add Hx2Rh & Rh2Hx
mod to ReadPDBPhase to use np.inner …
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@105
|
13 years |
vondreel |
fix doc in cell2AB
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|
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@103
|
13 years |
toby |
add more Laue classes to self test (now fails); move source library
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|
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@102
|
13 years |
toby |
add space group list; fix minor bugs in GenHLaue & add unit test
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|
|
@93
|
13 years |
toby |
G2lattice: add GetBraviasNum? to interface GenHBravais to …
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@78
|
13 years |
vondreel |
split IndexPeaks?, etc. from GSASIIcomp.py & put in new GSASIIindex.py
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|
|
@76
|
13 years |
vondreel |
After merge with BT mods
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|
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@73
|
13 years |
vondreel |
remove Bob's bad code & simplify calc_rVsq
|
|
|
@71
|
13 years |
toby |
Update orthogonalization routine w/unit-tests
|
|
|
@70
|
13 years |
toby |
move lattice operations into GSASIIlattice w/unit tests
|