|
|
|
@4917
|
2 years |
toby |
split G2 & pillow readers for TIF; document
|
|
|
|
@4882
|
2 years |
toby |
new routine: getCellSU
|
|
|
|
@4868
|
2 years |
toby |
fix back print issue + some CIF fixes
|
|
|
|
@4862
|
2 years |
vondreele |
add A-centered monoclinic to list of indexable lattices.
Fix a number …
|
|
|
|
@4861
|
2 years |
toby |
fix Bob's RB constraint fix
|
|
|
|
@4859
|
2 years |
vondreele |
use new symmetry constraint scheme in MakeRBParms
|
|
|
|
@4854
|
2 years |
vondreele |
apply scheme used for Uiso symmetry constraints to all other symmetry …
|
|
|
|
@4853
|
2 years |
vondreele |
fix to development of Uij constraints for atoms on 3 folds; lines …
|
|
|
|
@4852
|
2 years |
vondreele |
clarify text about constraints in ShowLSParms
put a wx.Raise in for …
|
|
|
|
@4849
|
2 years |
toby |
apply symmetry constraints on rigid body origin; show position vars …
|
|
|
|
@4840
|
2 years |
toby |
LeBail? issues: bug on zero cycles fixed; new LeBail? fit menu item; …
|
|
|
|
@4839
|
2 years |
vondreele |
change formatting for scale/phase fraction in G2ddataGUI & G2strIO now …
|
|
|
|
@4834
|
2 years |
vondreele |
change 'RBf' to 'RBVf' & 'RBRf' as appropriate.
|
|
|
|
@4829
|
2 years |
toby |
minor bugs: site sym for wrong RB; GUI stuff; force RB edit before …
|
|
|
|
@4824
|
2 years |
vondreele |
add new refinable RB parameter for atom site fraction - always there; …
|
|
|
|
@4823
|
2 years |
toby |
fix naming of new variable constraints; label them & improve …
|
|
|
|
@4814
|
2 years |
toby |
Add 'V' option (vector only) for rigid body fitting -- cleanup
|
|
|
|
@4813
|
2 years |
toby |
Add 'V' option (vector only) for rigid body fitting
|
|
|
|
@4686
|
2 years |
vondreele |
fix bug in fix background file handling
|
|
|
|
@4681
|
2 years |
toby |
density format corrected
|
|
|
|
@4671
|
2 years |
vondreele |
add refinable multiplier for a fixed background; multiplier is now …
|
|
|
|
@4666
|
3 years |
vondreele |
Add output of resonant neutron scattering lengths for CW powder & …
|
|
|
|
@4661
|
3 years |
toby |
update CIF export: add rigid body, fix bug in single xtal ref tbl; …
|
|
|
|
@4629
|
3 years |
vondreele |
GetXsectionCoeff? - remove a 'U' from an open - deprecated
close infile …
|
|
|
|
@4628
|
3 years |
toby |
fixup display of sequential refinement messages
|
|
|
|
@4591
|
3 years |
toby |
fix limit bug
|
|
|
|
@4588
|
3 years |
toby |
use G2VarObj for param limits; add more info to seq. ref. done dialog; …
|
|
|
|
@4534
|
3 years |
toby |
implement variable limits; show cell under Dij vals
|
|
|
|
@4520
|
3 years |
vondreele |
some corrections for pink beam single peak fits
implement pink beam …
|
|
|
|
@4509
|
3 years |
vondreele |
fix texture refinement error - incorrect azimuth values
|
|
|
|
@4401
|
3 years |
vondreele |
Add texture index & esd to texture results - all 3 different cases. …
|
|
|
|
@4399
|
3 years |
toby |
major refactoring & corrections to ISODISTORT mode import and computations
|
|
|
|
@4371
|
3 years |
vondreele |
patch to avoid crash on missing Layer Disp in Refine
|
|
|
|
@4370
|
3 years |
vondreele |
Add new parameter to Data tab - Layer DispSizerThis? is intended to …
|
|
|
|
@4197
|
3 years |
vondreele |
put reference to Cromer & Liberman in Absorb & Fprime as well as …
|
|
|
|
@4111
|
4 years |
toby |
move GetPhaseData? inside histogram loop so sym constraints are …
|
|
|
|
@4047
|
4 years |
toby |
remove reflections if hist dropped from phase
|
|
|
|
@4021
|
4 years |
toby |
implement filter for screen messages; start to replace print() with …
|
|
|
|
@3925
|
4 years |
toby |
bugfix for fixed background: conflict for single xtal
|
|
|
|
@3906
|
4 years |
toby |
implement fixed backgound file in Riteveld Fit; show Rietveld & peak …
|
|
|
|
@3887
|
4 years |
toby |
Fix restore of seq results after crash
|
|
|
|
@3886
|
4 years |
vondreele |
change variable SUBGRPUOS --> SubGroups? (avoid possible confusion with …
|
|
|
|
@3885
|
4 years |
toby |
correct seq ref hist error
|
|
|
|
@3884
|
4 years |
toby |
correct seq ref hist error
|
|
|
|
@3883
|
4 years |
toby |
correct seq ref hist error
|
|
|
|
@3873
|
4 years |
toby |
trap error if unable to delete seq files
|
|
|
|
@3855
|
4 years |
toby |
major speed up with very big sequential fits
|
|
|
|
@3849
|
4 years |
toby |
finish sequential ref. via scripting; doc updates
|
|
|
|
@3814
|
4 years |
toby |
refactor to move some IO-only routines; add initial image support to …
|
|
|
|
@3813
|
4 years |
vondreele |
fix problem with update of modulation vector after refinement
change …
|
|
|
|
@3811
|
4 years |
toby |
scriptable: fix reading py2 gpx in py3 & use of multi-set instprm files
|
|
|
|
@3803
|
4 years |
vondreele |
fix print bug in twin refinement output
a fix(?) to the alumina Uij …
|
|
|
|
@3792
|
4 years |
vondreele |
Add density to lst output
|
|
|
|
@3789
|
4 years |
toby |
fix transpose error for lattice constraints
|
|
|
|
@3760
|
4 years |
vondreele |
remove AwaveType?,PwaveType?,FwaveType? & MwaveType? from constraints …
|
|
|
|
@3756
|
4 years |
vondreele |
add an importer for edited NIST hb3a diffractometer (defunct?)
fixes …
|
|
|
|
@3754
|
4 years |
vondreele |
begin work on incommensurate mag. structure factors
fix problem of …
|
|
|
|
@3752
|
4 years |
vondreele |
more fixes to GetHistogramPhaseData?
|
|
|
|
@3751
|
4 years |
vondreele |
fix bug in GetHistogramPhaseData? for reflection generation.
|
|
|
|
@3747
|
5 years |
vondreele |
provide fix for missing reflection sets in LeBail? sequential refinements
|
|
|
|
@3737
|
5 years |
vondreele |
reorder descriptions in front of G2ctrlGUI to alpha order - now easier …
|
|
|
|
@3713
|
5 years |
toby |
constraint bug fix; comments
|
|
|
|
@3711
|
5 years |
toby |
major constraint update: move conflicting equivs to constraints; allow …
|
|
|
|
@3577
|
5 years |
vondreele |
delete MAXMAGN - not using it any more
fix (maybe) mag constraints; …
|
|
|
|
@3573
|
5 years |
vondreele |
fix 2 bugs in vector rigid body stuff
add setting 1 to setting 2 …
|
|
|
|
@3438
|
5 years |
vondreele |
g2strIO
fix magnetic hkl extinctions in reflection generation
remove …
|
|
|
|
@3392
|
5 years |
vondreele |
fix issues with multiphase refinements & multiphase plots, etc.
move …
|
|
|
|
@3390
|
5 years |
vondreele |
fix issue with deleted phases in Restraints - they are now deleted …
|
|
|
|
@3377
|
5 years |
vondreele |
revise sequential refinement to retain previous runs & update those …
|
|
|
|
@3373
|
5 years |
toby |
make sequential refinement setting work like a global flag; add …
|
|
|
|
@3340
|
5 years |
vondreele |
make testDeriv py3 compatible
fix problem with Reload draw atoms - mag …
|
|
|
|
@3311
|
5 years |
vondreele |
remove unused SytSym? argument from GetCSpqinel - not needed
|
|
|
|
@3286
|
5 years |
vondreele |
add modulation movies to structure drawings; makes gif files for both …
|
|
|
|
@3266
|
5 years |
vondreele |
change modulated wave type assignments so one for each kind of wave …
|
|
|
|
@3255
|
5 years |
toby |
add code to update phase parms from sequential fit
|
|
|
|
@3163
|
6 years |
vondreele |
fix typo in Tb neutron scattering factors; extra space
fix lst output …
|
|
|
|
@3157
|
6 years |
vondreele |
add Lorentzian term 'Z' to CW profile instrument parameters - constant …
|
|
|
|
@3136
|
6 years |
vondreele |
make GSAS-II python 3.6 compliant & preserve python 2.7 use;changes: …
|
|
|
|
@3054
|
6 years |
vondreele |
fixes to MCSA gui routines; trap <3 atom RBs
fix missing AtLookup? …
|
|
|
|
@3046
|
6 years |
toby |
label user-supplied & code-generated equivalences (constraints); …
|
|
|
|
@3000
|
6 years |
toby |
make the two frame version the trunk as we hit version 3000
|
|
|
|
@2840
|
6 years |
vondreele |
fix PDB importer & reimport atoms
rework RB GUI - now shows just one …
|
|
|
|
@2770
|
6 years |
vondreele |
fix import new phase behavior - wasn't finishing properly
fix HKL …
|
|
|
|
@2766
|
6 years |
vondreele |
add display of optional vertical lines to PlotXY (used for …
|
|
|
|
@2753
|
6 years |
vondreele |
minor shuffling about for atom constraints - no discernable impact …
|
|
|
|
@2752
|
6 years |
vondreele |
fix (again) a LeBail? bug on loading a new phase
|
|
|
|
@2750
|
6 years |
vondreele |
fix issues with adding new phase, forgetting to add atoms to it,
and …
|
|
|
|
@2748
|
6 years |
vondreele |
Sigh, another LeBail? fix
|
|
|
|
@2746
|
6 years |
vondreele |
fix another Lebail bug
dress up some formatting for mustrain & size …
|
|
|
|
@2743
|
6 years |
vondreele |
more Lebail fixes
|
|
|
|
@2741
|
6 years |
vondreele |
fix issues with LeBail? flags & Rietveld refinement
|
|
|
|
@2739
|
6 years |
vondreele |
comment out "other self-updating plots" - caused failures in GSASII.py …
|
|
|
|
@2735
|
6 years |
vondreele |
set default flight path = 20. in case FPATH0 missing from TOF Iparm …
|
|
|
|
@2732
|
6 years |
vondreele |
finish up LeBail? extraction option
|
|
|
|
@2728
|
6 years |
vondreele |
disable LeBail? stuff - messed up Rietveld.
|
|
|
|
@2727
|
6 years |
vondreele |
fix issue with formula volume in PDF creation
block Lebail selection …
|
|
|
|
@2718
|
6 years |
vondreele |
implement LaBail? - not finished.
|
|
|
|
@2715
|
6 years |
vondreele |
put histogram numbers in sorted order for View LS parms
remove some …
|
|
|
|
@2698
|
6 years |
vondreele |
work over sequentia fit stuff - allow all parameters shown in table to …
|
|
|
|
@2658
|
6 years |
toby |
fix problem reporting histogram with Unicode chars
|
|
|
|
