|
|
|
@4867
|
2 years |
vondreele |
fixes to incommensurate structure refinement
|
|
|
|
@4866
|
2 years |
vondreele |
monoclinic indexing returns proper reduced cells
|
|
|
|
@4865
|
2 years |
vondreele |
fixes to monoclinic A,C,I centered cell indexing (still need to do P) …
|
|
|
|
@4864
|
2 years |
vondreele |
proper fix to bond restraint bug
|
|
|
|
@4863
|
2 years |
vondreele |
fix 2 bugs in macromolecular restraints
|
|
|
|
@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
|
|
|
|
@4860
|
2 years |
vondreele |
change titles & labels for shift/esd plot since it plots intiial …
|
|
|
|
@4859
|
2 years |
vondreele |
use new symmetry constraint scheme in MakeRBParms
|
|
|
|
@4858
|
2 years |
vondreele |
undo "fix" to covariance plot y-axis tick labels
|
|
|
|
@4857
|
2 years |
vondreele |
Add new button to Covariance page - Show last shift/esd bar plot
Add …
|
|
|
|
@4856
|
2 years |
toby |
full CIF fixes
|
|
|
|
@4855
|
2 years |
vondreele |
Add new option to AtomModify? in G2phsGUI - 'Uij' - converts Uiso to …
|
|
|
|
@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 …
|
|
|
|
@4851
|
2 years |
toby |
reformat equivalence pairs as Bob prefers
|
|
|
|
@4850
|
2 years |
vondreele |
fix LeBail? test to skip HKLF histograms in G2strMain
fix DBW access …
|
|
|
|
@4849
|
2 years |
toby |
apply symmetry constraints on rigid body origin; show position vars …
|
|
|
|
@4848
|
2 years |
vondreele |
implement the show/hide systematic absences in single crystal …
|
|
|
|
@4847
|
2 years |
vondreele |
Add (TBD) hide/showtoggle for single crystal systematic extinctions in …
|
|
|
|
@4846
|
2 years |
toby |
save GPX before OnFileSave?
|
|
|
|
@4845
|
2 years |
toby |
Tutorial #50 now in web page
|
|
|
|
@4844
|
2 years |
toby |
Le Bail tutorial; pretty up tutorial table
|
|
|
|
@4843
|
2 years |
toby |
fix Le Bail issues: LB before refinement; bug for combined fits; …
|
|
|
|
@4842
|
2 years |
toby |
fix Refine Cell enable after cell copy; misc wx4.1 fixes
|
|
|
|
@4841
|
2 years |
toby |
fix bind problem w/Sequential plots; open sequential fit tree item on start
|
|
|
|
@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 …
|
|
|
|
@4838
|
2 years |
vondreele |
comment out MakeDrawAtom? in G2constrGUI & make the call to …
|
|
|
|
@4837
|
2 years |
vondreele |
change line styles in fprme f' & f" plot.
add a Raise for the …
|
|
|
|
@4836
|
2 years |
vondreele |
Change status bar to show useful message about right click when …
|
|
|
|
@4835
|
2 years |
toby |
fix tick animation with weight (w) plot; unable to fix seq plot update …
|
|
|
|
@4834
|
2 years |
vondreele |
change 'RBf' to 'RBVf' & 'RBRf' as appropriate.
|
|
|
|
@4833
|
2 years |
toby |
popup menu for GSGrids; split off sequential display; rename File menu …
|
|
|
|
@4832
|
2 years |
vondreele |
fix gaim map calc to include cylindrical sample absorption
fix phase …
|
|
|
|
@4831
|
2 years |
vondreele |
Fix SHELX hkl importer to deal with 3 digit hkls
|
|
|
|
@4830
|
2 years |
vondreele |
show more places in Absorb output
improve image absorption calcs for …
|
|
|
|
@4829
|
2 years |
toby |
minor bugs: site sym for wrong RB; GUI stuff; force RB edit before …
|
|
|
|
@4828
|
2 years |
vondreele |
another fix to delete vector RB
|
|
|
|
@4827
|
2 years |
vondreele |
fix bug deleting vector RB
|
|
|
|
@4826
|
2 years |
vondreele |
fix PDF GUI stuff transmission as percent, plot limits for g(r)
fix …
|
|
|
|
@4825
|
2 years |
toby |
remove unused & deleted hists from seq ref; option to remove hists …
|
|
|
|
@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 …
|
|
|
|
@4822
|
2 years |
toby |
Warn if param limits on constrained vars
|
|
|
|
@4821
|
2 years |
toby |
new peakfit mode in scripting: allow peak width terms to remain …
|
|
|
|
@4820
|
2 years |
vondreele |
remove masks from argument list for MakeGainMap? - not used
Tweak gain …
|
|
|
|
@4819
|
2 years |
toby |
seq ref: fix & edit phase vars for 1 hist; spyder conveniences; …
|
|
|
|
@4818
|
2 years |
vondreele |
Add new routine RBsymCheck to G2lat - it checks RB atom positions for …
|
|
|
|
@4817
|
2 years |
vondreele |
fix a contour level bug - crash when there isn't any
|
|
|
|
@4816
|
2 years |
vondreele |
fix crash in RepaintRBInfo for Vector RBs
|
|
|
|
@4815
|
2 years |
vondreele |
fix problem of shifting RB origin; changed atom fractions!
|
|
|
|
@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
|
|
|
|
@4812
|
2 years |
vondreele |
Add Cycle XYZ button on residue RB GUI & add description to help text …
|
|
|
|
@4811
|
2 years |
toby |
more wx4.1 & help button fixes; fix OnLeave? if called when a window is …
|
|
|
|
@4810
|
2 years |
vondreele |
fix depreciation warning in G2indx.findMV
fix numpy round bug in …
|
|
|
|
@4809
|
2 years |
toby |
display more Residue rigid body info; better docs
|
|
|
|
@4808
|
2 years |
vondreele |
Correct values in Compton table as pointed out by Laszlo Temleitner.
|
|
|
|
@4807
|
2 years |
vondreele |
improvement to excluded region operation - now will immediately …
|
|
|
|
@4806
|
2 years |
vondreele |
remove bigSizer from UpdatePWHKPlot - use mainSizer = vertical box …
|
|
|
|
@4805
|
2 years |
toby |
start replacing dataWindow.GetSizer? with .SetSizer? since Sizer could …
|
|
|
|
@4804
|
2 years |
toby |
fix change in MPL posy & posx to nonpositive
|
|
|
|
@4803
|
2 years |
toby |
don't reuse dataWindow sizer for background or PWDR; plotting: reset f …
|
|
|
|
@4802
|
2 years |
vondreele |
upon integration add Dark, Background & Gain map info to Comments
|
|
|
|
@4801
|
2 years |
toby |
Cleanup deleted hists in Phase/data; improve help button location; …
|
|
|
|
@4800
|
2 years |
toby |
finish up docs cleanups
|
|
|
|
@4799
|
2 years |
toby |
work on docs
|
|
|
|
@4798
|
2 years |
toby |
work on docs
|
|
|
|
@4797
|
2 years |
toby |
work on docs
|
|
|
|
@4796
|
2 years |
vondreele |
patch for missing 'Gain map' data item
|
|
|
|
@4795
|
2 years |
toby |
work on docs
|
|
|
|
@4794
|
2 years |
toby |
work on docs
|
|
|
|
@4793
|
2 years |
toby |
work on docs
|
|
|
|
@4792
|
2 years |
toby |
check in changes to allow cctbx to use DoIndexPeaks and !refinePeaks
|
|
|
|
@4791
|
2 years |
toby |
docs chapter numbering
|
|
|
|
@4790
|
2 years |
vondreele |
fix aspect for hkl plots - reflections now circles independent of …
|
|
|
|
@4789
|
2 years |
toby |
switch to new HessianLSQ; Ouch#4 msg in GUI; misc wx4.1 fixes; docs …
|
|
|
|
@4788
|
2 years |
vondreele |
a bit more cleanup of toolbar
|
|
|
|
@4787
|
2 years |
vondreele |
cleanup of toolbar handling - for mpl 3.3.2 at least. remove …
|
|
|
|
@4786
|
2 years |
vondreele |
use set_box_aspect to make 3D plot scales correct. one in four places. …
|
|
|
|
@4785
|
2 years |
toby |
new table for text w/sorting
|
|
|
|
@4784
|
2 years |
toby |
more help prose
|
|
|
|
@4783
|
2 years |
toby |
wx4.1 updates; new CIF data item; scripting: peak fit details …
|
|
|
|
@4782
|
2 years |
toby |
scripting fix; wx4.1 RB fixes
|
|
|
|
@4781
|
2 years |
vondreele |
2D map contouring now fixed for matplotlib 3.3.2 - should work for …
|
|
|
|
@4780
|
2 years |
toby |
separate hard & SVD singularities, new code in GSASIImath_new.py not …
|
|
|
|
@4770
|
2 years |
vondreele |
reinstitute final call to Hess after convergence - required for proper esds
|
|
|
|
@4767
|
2 years |
vondreele |
comment out recalculatin if LS matrix after convergence - faster LS …
|
|
|
|
@4766
|
2 years |
vondreele |
modify atom labeling routine to allow specified offset as wx.RealPoint? …
|
|
|
|
@4765
|
2 years |
toby |
MPL 3.3.x fix; scripting docs
|
|
|
|
@4764
|
2 years |
toby |
HessianLSQ: force vars to float; small wx 4.1 fixes; scriptable: more …
|
|
|
|
@4763
|
2 years |
vondreele |
cleanup tif import for PIL use - remove commented lines
move …
|
|
|
|
@4762
|
2 years |
vondreele |
fix TIF importer for bad images that use PIL/pillow instead.
|
|
|
|
@4761
|
2 years |
toby |
refinements with no variables or no cycles
|
|
|
|
@4760
|
2 years |
toby |
fix zero cycle bug
|
|
|
|
@4759
|
2 years |
toby |
wx4.1 & mpl3.3 fixes
|
|
|
|
@4756
|
2 years |
toby |
more mac work
|
|
|
|
@4754
|
2 years |
toby |
new approach for MacOS AppleScripting?
|
|
|
|
