|
|
|
@2775
|
8 years |
toby |
make autoint polltime adjustable
|
|
|
|
@2764
|
8 years |
toby |
formatting changes for docs; add debug to conf.py
|
|
|
|
@2560
|
8 years |
vondreele |
make A2Gmat return np.arrays
put in spinners for Background & …
|
|
|
|
@2546
|
9 years |
vondreele |
cleanup of all GSASII main routines - remove unused variables, dead …
|
|
|
|
@2512
|
9 years |
vondreele |
remove 'constraint' and 'restraint' from Consraints & Restraints tabs …
|
|
|
|
@2486
|
9 years |
vondreele |
fix mag form factor lookup - some aren't chemical valences (e.g. Fe+4) …
|
|
|
|
@2484
|
9 years |
vondreele |
fix transform to properly move magnetic moments (if space group is not …
|
|
|
|
@2482
|
9 years |
vondreele |
allow atom constraints between phases
|
|
|
|
@2481
|
9 years |
vondreele |
force Transform to delete nonmagnetic atoms if phase made magnetic & …
|
|
|
|
@2480
|
9 years |
vondreele |
add make magnetic phase to General/Transform? option
trap missing rigid …
|
|
|
|
@2476
|
9 years |
vondreele |
Add new feature to structure plots - display an hkl plane or stack of …
|
|
|
|
@2473
|
9 years |
vondreele |
work on magnetic structures - import from EXP, plotting, LS refine …
|
|
|
|
@2470
|
9 years |
vondreele |
magnetic structure editing/drawing work - includes site symm restrictions
|
|
|
|
@2430
|
9 years |
vondreele |
force limits from d-min to be within allowed range & less than 168.5 …
|
|
|
|
@2369
|
9 years |
vondreele |
revisions to inverse pole figure calcs - now close to correct symmetry
|
|
|
|
@2367
|
9 years |
vondreele |
add display of inverse pole figure for each histogram - works but are …
|
|
|
|
@2233
|
9 years |
vondreele |
force transposed phase atoms to be in unit cell
modify structure plot …
|
|
|
|
@2232
|
9 years |
vondreele |
fix atom transform problem with incomplete structures
|
|
|
|
@2228
|
9 years |
vondreele |
fixes to Transform of unit cell contents
|
|
|
|
@2219
|
9 years |
vondreele |
allow fractions in transformation matrix/vector elements
fix cell …
|
|
|
|
@2218
|
9 years |
vondreele |
work on cell transformations - fills new cell with unique atom set, …
|
|
|
|
@2212
|
9 years |
vondreele |
Implement 'abc*' as one of the 'Common' cell transformations. …
|
|
|
|
@2154
|
9 years |
vondreele |
remove range restriction on LGmix - inhibited doing refinements
do …
|
|
|
|
@2147
|
9 years |
vondreele |
handle TOF profile type=2 iparm files (e.g. for GEM)
implement …
|
|
|
|
@2146
|
9 years |
vondreele |
improve HKL transformation; include set of common choices & trap failures
|
|
|
|
@2144
|
9 years |
vondreele |
Merge finished - all Laue groups (1/-1) checked OK
|
|
|
|
@2143
|
9 years |
vondreele |
fix cif UIJ order of keys - values OK
work on hkl merge all but 321 & …
|
|
|
|
@2140
|
9 years |
vondreele |
tighten up zclip for zone 3D hkl plots
show transformation rule on …
|
|
|
|
@2139
|
9 years |
vondreele |
fix multiple image problem in clibration/display, etc.
more Laue …
|
|
|
|
@2138
|
9 years |
vondreele |
Add a Use data menu item in the phase Data tab to allow global …
|
|
|
|
@2136
|
9 years |
vondreele |
fix indexing problem in 32 bit versions - Skip in ProgressDialog? …
|
|
|
|
@2135
|
9 years |
vondreele |
more fixes to peak exports to get correct FWHM
refactor Merge GUI
|
|
|
|
@2131
|
9 years |
vondreele |
revise Laue group lists
|
|
|
|
@2129
|
9 years |
vondreele |
revisions to FWHM calculations - some math errors fixed
implement …
|
|
|
|
@2126
|
9 years |
vondreele |
add laueUnique to G2lattice for reindexing hkls to just unique Laue …
|
|
|
|
@2120
|
9 years |
vondreele |
Add plotting of 2D modulation vector result (a0g) for monoclinic.
Trap …
|
|
|
|
@2038
|
10 years |
vondreele |
add betaij2Uij to G2lattice
revisions to SS structure factor calcs. …
|
|
|
|
@2022
|
10 years |
vondreele |
fixes to TOF powder indexing & incommensurate structures
|
|
|
|
@1999
|
10 years |
vondreele |
|
|
|
|
@1947
|
10 years |
vondreele |
do export of pole figures & inverse pole figures as csv files (can be …
|
|
|
|
@1945
|
10 years |
vondreele |
fix another new histo in new phase error
some cleanup in texture …
|
|
|
|
@1820
|
10 years |
vondreele |
fix issues in reading powder peak lists (since TOF added)
force reload …
|
|
|
|
@1793
|
10 years |
vondreele |
a few more corrections to texture stuff
|
|
|
|
@1792
|
10 years |
vondreele |
remove Exceptions from seqRefine; now returns & makes Message dialog …
|
|
|
|
@1773
|
10 years |
vondreele |
provide sig,gam & FWHM in export of PWDR reflection set as csv & txt …
|
|
|
|
@1766
|
10 years |
vondreele |
correct old LANSCE/HIPD import to give correct Omega, chi & phi from …
|
|
|
|
@1598
|
10 years |
vondreele |
insure super lattice reflection set is unique reflections only
fix …
|
|
|
|
@1597
|
10 years |
vondreele |
Incommensurate Pawley refinement works, including refinement of …
|
|
|
|
@1596
|
11 years |
vondreele |
some bug fixes
|
|
|
|
@1594
|
11 years |
vondreele |
begin Pawley refinement stuff for incommensurate structures
Pawley SS …
|
|
|
|
@1587
|
11 years |
vondreele |
use successive approx. to get d from TOF
allow sorting on …
|
|
|
|
@1585
|
11 years |
vondreele |
remove Pwr from FitPeaksZ, SSZ & T - wasn't used
put in derivatives …
|
|
|
|
@1581
|
11 years |
vondreele |
fix problem editing R3cR lattice parameters - incorrect angle index …
|
|
|
|
@1578
|
11 years |
vondreele |
add wx.Yield in RefineBox?
refactor indexing for normal & superlattice …
|
|
|
|
@1489
|
11 years |
vondreele |
correct Uij to U6 conversions Uij = Uk/2 for i != j; k > 2 in …
|
|
|
|
@1475
|
11 years |
vondreele |
add MCSA tutorial to main gsasII.html web page
change difB tern from …
|
|
|
|
@1452
|
11 years |
toby |
fix bug that shows up in numpy 1.8
|
|
|
|
@1445
|
11 years |
vondreele |
add error bars to calibration plot
disable Autosearch if peaks already …
|
|
|
|
@1443
|
11 years |
vondreele |
add calibration of lam, difC, etc. from index peak positions
new …
|
|
|
|
@1439
|
11 years |
vondreele |
add difB as a term in d3 for TOF - trial
a patch for old files for …
|
|
|
|
@1402
|
11 years |
vondreele |
make pseudovariables work for strain seq. results
fix Pos2dsp for TOF …
|
|
|
|
@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 …
|
|
|
|
@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 …
|
|
|
|
@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
|
12 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 - …
|
|
|
|
@762
|
13 years |
toby |
update py files to use native line ends, add update from svn to help …
|
|
|
|
@758
|
13 years |
vondreele |
fix in sph. harm. for hex/rhom/trig
fix for view dir in plots
remove a …
|
|
|
|
@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
|
14 years |
vondreele |
various fixes, but still bugs.
GSASII.py - add more sample parameters …
|
|
|
|
