|
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@1402
|
11 years |
vondreele |
make pseudovariables work for strain seq. results
fix Pos2dsp for TOF …
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|
|
|
@1372
|
11 years |
vondreele |
missed an import
|
|
|
|
@1367
|
11 years |
vondreele |
add Dsp2pos & Pos2dsp for conversions to G2lattice
remove wave from …
|
|
|
|
@1075
|
12 years |
vondreele |
implement new March-Dollase term in MC/SA
|
|
|
|
@1046
|
12 years |
vondreele |
put in missing GSASIIpath & version finder
|
|
|
|
@989
|
12 years |
toby |
add constraint derivs for single xtal; allow cellFill to work without …
|
|
|
|
@961
|
12 years |
vondreele |
fix rb constraints - useCount
fix Uij2Ueqv
mods to anneal algorithms …
|
|
|
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@959
|
12 years |
vondreele |
added cell2GS & Uij2Ueqv
|
|
|
|
@949
|
12 years |
vondreele |
changes to MC/SA stuff
|
|
|
|
@939
|
12 years |
toby |
fix & cleanup unit tests; add/change doc strings for sphinx; add all …
|
|
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|
@885
|
12 years |
vondreele |
add 'Global' to constraints
remove a stray debug print
fix U6toUij so …
|
|
|
|
@825
|
12 years |
vondreele |
small fixes to restraint processing
|
|
|
|
@812
|
13 years |
vondreele |
add restraint macro files
fix a triclinic error in genHlaue
continue …
|
|
|
|
@780
|
13 years |
vondreele |
fix sph. harm. error - bad acosd in CrsAng?
small detail in G2struct - …
|
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@762
|
13 years |
toby |
update py files to use native line ends, add update from svn to help …
|
|
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@758
|
13 years |
vondreele |
fix in sph. harm. for hex/rhom/trig
fix for view dir in plots
remove a …
|
|
|
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@736
|
13 years |
vondreele |
add space group choice to cell indexing page
|
|
|
|
@584
|
13 years |
vondreele |
add coding line everywhere
more options in sample parm copy
|
|
|
|
@582
|
13 years |
vondreele |
fix to load image controls
fix to sph harmonics calc
|
|
|
|
@520
|
13 years |
vondreele |
separate getHKLmax
|
|
|
|
@432
|
14 years |
vondreele |
remove test prints from GSASIIIO
new Gmat2AB routine
work on the DData …
|
|
|
|
@395
|
14 years |
vondreele |
Add goniometer omega, chi & phi to sample data
put SH texture in …
|
|
|
|
@391
|
14 years |
vondreele |
set default atom frac=1 for cif files
store covMatrix not normalized …
|
|
|
|
@384
|
14 years |
vondreele |
add constraint & restraint items to tree - now empty
fix noncentro …
|
|
|
|
@380
|
14 years |
vondreele |
completed Rietveld refinement version
|
|
|
|
@379
|
14 years |
vondreele |
finish spherical harmonics preferred orientation
|
|
|
|
@378
|
14 years |
vondreele |
a Pawley intensity fix, format fixes & Sph. Harm PO correction
|
|
|
|
@375
|
14 years |
vondreele |
GSASIIgrid.py - add Pawley estimator to menu
GSASIIlattice.py - fix …
|
|
|
|
@360
|
14 years |
vondreele |
just backup before trip
|
|
|
|
@353
|
14 years |
vondreele |
modify psvfcj.for to use sh/l only
add derivative routine to …
|
|
|
|
@342
|
14 years |
vondreele |
major modifications to get 1st "working" version of Refine
Add …
|
|
|
|
@326
|
14 years |
vondreele |
remove cf2py
add inverse polefigure
|
|
|
|
@313
|
14 years |
vondreele |
work on texture display & computation
|
|
|
|
@312
|
14 years |
vondreele |
implement refinement of zero point as part of cell refinement
|
|
|
|
@311
|
14 years |
vondreele |
finish new indexing refinement stuff
more on texture plotting
|
|
|
|
@303
|
14 years |
vondreele |
Allow reading of xye (Topas style) files
Begin implementation of …
|
|
|
|
@296
|
14 years |
vondreele |
major change to peak fitting in GSASIIpwd.py & GSASIIpwdGUI.py
"Auto …
|
|
|
|
@264
|
14 years |
vondreele |
begin implementation of pdf generation - work in progress
modify image …
|
|
|
|
@230
|
14 years |
vondreele |
add svn keywords & add log intensity plotting
|
|
|
|
@193
|
15 years |
vondreele |
various fixes, but still bugs.
GSASII.py - add more sample parameters …
|
|
|
|
@189
|
15 years |
vondreele |
change names in GenHKLLaue to conform to general usage
|
|
|
|
@166
|
15 years |
vondreele |
fixups of atom editing/atom drawing
|
|
|
|
@164
|
15 years |
vondreele |
more parameters
|
|
|
|
@162
|
15 years |
toby |
change rhomb permutation list to remove Fridel pairs
|
|
|
|
@158
|
15 years |
vondreele |
implement drawing options:
select atom hilites
movable test point & …
|
|
|
|
@155
|
15 years |
vondreele |
changes for structure drawing
|
|
|
|
@110
|
15 years |
vondreel |
resolved
|
|
|
|
@109
|
15 years |
toby |
fix up GenHLaue
|
|
|
|
@108
|
15 years |
vondreel |
fix to GenHlaue?; add Hx2Rh & Rh2Hx
mod to ReadPDBPhase to use np.inner …
|
|
|
|
@105
|
15 years |
vondreel |
fix doc in cell2AB
|
|
|
|
@103
|
15 years |
toby |
add more Laue classes to self test (now fails); move source library
|
|
|
|
@102
|
15 years |
toby |
add space group list; fix minor bugs in GenHLaue & add unit test
|
|
|
|
@93
|
15 years |
toby |
G2lattice: add GetBraviasNum? to interface GenHBravais to …
|
|
|
|
@78
|
15 years |
vondreel |
split IndexPeaks?, etc. from GSASIIcomp.py & put in new GSASIIindex.py
|
|
|
|
@76
|
15 years |
vondreel |
After merge with BT mods
|
|
|
|
@73
|
15 years |
vondreel |
remove Bob's bad code & simplify calc_rVsq
|
|
|
|
@71
|
15 years |
toby |
Update orthogonalization routine w/unit-tests
|
|
|
|
@70
|
15 years |
toby |
move lattice operations into GSASIIlattice w/unit tests
|
