|
|
|
@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?
|
|
|
|
@4752
|
2 years |
vondreele |
add scattering density to status bar when P/N are selected for …
|
|
|
|
@4749
|
2 years |
toby |
fine-tune Mac installer for 11.0
|
|
|
|
@4741
|
2 years |
toby |
deal with install python not matching target system
|
|
|
|
@4740
|
2 years |
toby |
more install work
|
|
|
|
@4736
|
2 years |
toby |
more install work
|
|
|
|
@4735
|
2 years |
vondreele |
reduce printed precision of bon valence sum from 3 to 2.
connect +/- …
|
|
|
|
@4733
|
2 years |
toby |
add placeholder
|
|
|
|
@4732
|
2 years |
toby |
workarounds for missing files
|
|
|
|
@4731
|
2 years |
toby |
add file to binary directories so that conda-build keeps them
|
|
|
|
@4725
|
2 years |
toby |
add ScriptEditor? save to makeMacApp
|
|
|
|
@4724
|
2 years |
toby |
add Big Sur patch for OpenGL.GL bug
|
|
|
|
@4723
|
2 years |
vondreele |
add automatic valence bond sum calculator to dist/angle calculator in …
|
|
|
|
@4720
|
2 years |
vondreele |
trimmed some plot k-box commands; they blocked the 2nd status line box
|
|
|
|
@4719
|
2 years |
vondreele |
add number/cell to site fraction apportion routine
|
|
|
|
@4717
|
2 years |
toby |
remove mpl 3.3 warning
|
|
|
|
@4713
|
2 years |
toby |
more installer work; xmgrace enhance from Carlo
|
|
|
|
@4712
|
2 years |
vondreele |
fix plotting of image limit ellipses - wrong call (GetDetectorXY) …
|
|
|
|
@4711
|
2 years |
toby |
remove fellipse, not used for a long time
|
|
|
|
@4709
|
2 years |
vondreele |
new (BT mostly) version of HessianLSQ & additions; fix nan problem in …
|
|
|
|
@4699
|
2 years |
toby |
improve refinement warnings
|
|
|
|
@4698
|
2 years |
vondreele |
forgot the 'color' change for gain map
|
|
|
|
@4697
|
2 years |
vondreele |
move superminusone definition to header block in G2pwdrGUI
replace …
|
|
|
|
@4695
|
2 years |
toby |
back out zero xfer
|
|
|
|
@4694
|
2 years |
toby |
Cell test: update reflection positions after zero or Bravais change
|
|
|
|
@4693
|
2 years |
toby |
updates to math_new after testing; improve output
|
|
|
|
@4692
|
2 years |
vondreele |
improve gain map calc - more steps for integration step
|
|
|
|
@4691
|
2 years |
toby |
major updates to trial version of HessianLSQ
|
|
|
|
@4690
|
2 years |
toby |
major updates to trial version of HessianLSQ
|
|
|
|
@4689
|
2 years |
vondreele |
fix formatting issues on Covariance tab
|
|
|
|
@4688
|
2 years |
toby |
correct setting of singular vars in old HessianLSQ
|
|
|
|
@4687
|
2 years |
toby |
Add e key for excluded region creation; switch to hist in tree after m …
|
|
|
|
@4686
|
2 years |
vondreele |
fix bug in fix background file handling
|
|
|
|
