|
|
|
@3713
|
7 years |
toby |
constraint bug fix; comments
|
|
|
|
@3712
|
7 years |
vondreele |
add new configuration item: PDF_Rmax maximum radius for G(r) …
|
|
|
|
@3711
|
7 years |
toby |
major constraint update: move conflicting equivs to constraints; allow …
|
|
|
|
@3710
|
7 years |
vondreele |
fix issues about site sym & multilicity for mcif import of gray …
|
|
|
|
@3709
|
7 years |
vondreele |
fixes to enables for LoadCell? & run Bilbao stuff
|
|
|
|
@3707
|
7 years |
vondreele |
fix mag site symmetries for certain cubics
|
|
|
|
@3706
|
7 years |
vondreele |
fix to magspgrp bug for F d' -3'
fixes to some mag modulation symm rules
|
|
|
|
@3703
|
7 years |
vondreele |
refactoring of GetSSfxuinel
|
|
|
|
@3699
|
7 years |
vondreele |
make check for duplicate constraints (via strings) in TransConstraints? …
|
|
|
|
@3693
|
7 years |
vondreele |
magAtoms --> magAtms spelling error n RefreshMagCellsGrid?
allow …
|
|
|
|
@3691
|
7 years |
vondreele |
fix constraints on transformed lattice parameters to preserve higher …
|
|
|
|
@3687
|
7 years |
vondreele |
change a CallAfter? to CallLater? in in OnNewLayer? in the stacking fault …
|
|
|
|
@3686
|
7 years |
vondreele |
install new use of Bilbao site - call SUBGROUPS for making subgroup …
|
|
|
|
@3685
|
7 years |
vondreele |
Add progress bar for processing k-SUBGROUPSMAG results - it does take …
|
|
|
|
@3684
|
7 years |
vondreele |
fixes to OnRunSubsMag? & OnRunSubs?
|
|
|
|
@3683
|
7 years |
vondreele |
refactor MultiDataDialog? so it can show a line of multiple choice (or …
|
|
|
|
@3682
|
7 years |
vondreele |
eliminate auto refresh og General after looking at spin ops
implement …
|
|
|
|
@3681
|
7 years |
vondreele |
change Panalytical importer to read multi xrdMeasurement blocks - can …
|
|
|
|
@3680
|
7 years |
toby |
add activate to windows bat file updated
|
|
|
|
@3679
|
7 years |
toby |
add activate to windows bat file updated
|
|
|
|
@3678
|
7 years |
toby |
add activate to windows bat file updated
|
|
|
|
@3677
|
7 years |
toby |
add activate to windows bat file
|
|
|
|
@3676
|
7 years |
vondreele |
fix magnetic modulation
|
|
|
|
@3675
|
7 years |
vondreele |
5 spaces for d-spacing in exported cif files - per Jim Kaduk's request …
|
|
|
|
@3674
|
7 years |
toby |
misc cosmetic & build changes
|
|
|
|
@3673
|
7 years |
vondreele |
fix up mag space group table title line
|
|
|
|
@3672
|
7 years |
vondreele |
check update
|
|
|
|
@3671
|
7 years |
vondreele |
disable k-SUBGROUPSMAG for incommensurate structures - fails
|
|
|
|
@3670
|
7 years |
toby |
read in qchi files
|
|
|
|
@3669
|
7 years |
vondreele |
combine maximal & Landau filters as either one (not both - made no …
|
|
|
|
@3668
|
7 years |
toby |
bug fix on Unicode file names
|
|
|
|
@3665
|
7 years |
vondreele |
go to 3 k-vectors (works)
remove intermediate space groups options per …
|
|
|
|
@3659
|
7 years |
vondreele |
apparent fix to P_A 21/c --> P 21/c mono transform; loose mag face …
|
|
|
|
@3658
|
7 years |
vondreele |
more fix of incommensurate bug
fix of some mag mono transforms to …
|
|
|
|
@3657
|
7 years |
vondreele |
un do fix in version 3466 - broke all incommensurate structures
add …
|
|
|
|
@3656
|
7 years |
vondreele |
skip P_A --> P_I conversion: fails
add status bar note for Try …
|
|
|
|
@3655
|
7 years |
vondreele |
fix image recalibrate bug
|
|
|
|
@3654
|
7 years |
vondreele |
fix to bug if no atom types selected for mag atom check
add code to …
|
|
|
|
@3653
|
7 years |
vondreele |
fix image calibration bug - a python 3.6 issue
|
|
|
|
@3652
|
7 years |
toby |
add keys to cycle through magnetic cells
|
|
|
|
@3651
|
7 years |
vondreele |
add Magnetic-V tutorial
|
|
|
|
@3649
|
7 years |
toby |
Change display of equivalences
|
|
|
|
@3648
|
7 years |
vondreele |
fix bug in OnUseBilbao? make a tuple a list!!
|
|
|
|
@3647
|
7 years |
toby |
do removal of vars when window is created
|
|
|
|
@3646
|
7 years |
vondreele |
modify UseMagAtomDialog? to have ifOK option - only OK button G2phsGUI) …
|
|
|
|
@3638
|
7 years |
vondreele |
implement a count of unique magnetic atoms for each result from …
|
|
|
|
@3637
|
7 years |
toby |
update magnetic tutorial listings
|
|
|
|
@3636
|
7 years |
vondreele |
Add BNS sub 'I' to possible axes list
Add Magnetic-IV to tutorial list …
|
|
|
|
@3634
|
7 years |
vondreele |
fixes to PWDR indexing after adding A & C-centered orthorhombic
|
|
|
|
@3633
|
7 years |
vondreele |
extend Unit Cells List Bravais lattice choices to include Ammm and …
|
|
|
|
@3629
|
7 years |
vondreele |
fix tutorial reference to Magnetic-II
fix last point bug in RALF/ALT …
|
|
|
|
@3628
|
7 years |
vondreele |
add new tutorial Magnetic Suctures-II
add a save project after mag …
|
|
|
|
@3625
|
7 years |
vondreele |
fix 2 bugs in mag. space group stuff
correct Mag Structure tutorial name
|
|
|
|
@3622
|
7 years |
vondreele |
fix for P2221 problem - shift of 1/400 needed
|
|
|
|
@3621
|
7 years |
vondreele |
Modify Transform tool to allow setting spins & displaying operators …
|
|
|
|
@3620
|
7 years |
vondreele |
fix import of old style "RALF" data from ENGIN-X
|
|
|
|
@3619
|
7 years |
vondreele |
clear magData when a selection is made
add row select --> mag space …
|
|
|
|
@3618
|
7 years |
vondreele |
comment out creation of Uij constraints for new mag phases - not …
|
|
|
|
@3617
|
7 years |
vondreele |
fix mag space group counts
fix k-SUBGROUPSMAG k-vec input
fix lattice …
|
|
|
|
@3616
|
7 years |
vondreele |
change phase names etc. for magnetic structures to have the …
|
|
|
|
@3613
|
7 years |
vondreele |
add new tutorial to tutorialIndex & add some spaces to make it more …
|
|
|
|
@3610
|
7 years |
vondreele |
another less/equal for size!
|
|
|
|
@3609
|
7 years |
vondreele |
change lower crystallite size limit as < 0.001 from <= 0.001
|
|
|
|
@3608
|
7 years |
vondreele |
remove 3rd k-vector from Dialog since k-SUBGROUPSMAG doesn't seem to …
|
|
|
|
@3607
|
7 years |
vondreele |
enable multiple proagation vectors & add kSUBGROUPSMAG.py to repository
|
|
|
|
@3605
|
7 years |
vondreele |
fix bug in neutron resonant form factor calculation
|
|
|
|
@3603
|
7 years |
vondreele |
small mods to SVD stuff
|
|
|
|
@3602
|
7 years |
vondreele |
fix bug in OnTransform? for magnetic phases
|
|
|
|
@3601
|
7 years |
vondreele |
fix a weird wx4.0 C++ error in G2constrGUI (line 2212)
|
|
|
|
@3600
|
7 years |
vondreele |
add capability to save & load background parameters to/from a file
|
|
|
|
@3599
|
7 years |
toby |
remove vars from constraints (see G2obj.removeNonRefined); new tutorial
|
|
|
|
@3597
|
7 years |
vondreele |
fix spelling errors in the list of parameter manes
|
|
|
|
@3596
|
7 years |
vondreele |
fix OnTransform? for magnetic phases to give correct atom sites/symmetry
|
|
|
|
@3595
|
7 years |
vondreele |
fix singular matrix problem for magnetic atoms with zero moment.
|
|
|
|
@3594
|
7 years |
vondreele |
fix vector problem in FindNonstandard? that messed up nonstandard atom …
|
|
|
|
@3593
|
7 years |
vondreele |
modify the Bilbao dialog; change kx, ky & kz to be ComboBox? of …
|
|
|
|
@3592
|
7 years |
toby |
add Igor Pro export to publication plot -- thanks to Jan Ilavsky
|
|
|
|
@3591
|
7 years |
vondreele |
work on FindNonstandard? for mag space groups
enhance UseMagAtomDialog? …
|
|
|
|
@3590
|
7 years |
vondreele |
make some definitions of missing histogram varbs
sort out …
|
|
|
|
@3589
|
7 years |
vondreele |
fixes to Bilbao mag symm stuff - now gets nonstd. sp.grp. correct with …
|
|
|
|
@3588
|
7 years |
vondreele |
fix old style wx.CHANGE_DIR to wx.DR_CHANGE_DIR in several places.
fix …
|
|
|
|
@3587
|
7 years |
vondreele |
further work on magnetic structures:
now proper symmetry processing of …
|
|
|
|
@3586
|
7 years |
vondreele |
rename MiltiFloatDialog? to MultiDataDialog? - better now that it does …
|
|
|
|
@3585
|
7 years |
vondreele |
change Bilbao dialog to use fractions for kx,ky,kz (not decimals) - …
|
|
|
|
@3584
|
7 years |
toby |
more fixes to masking for Grace export
|
|
|
|
@3583
|
7 years |
vondreele |
fixes so orthorhombic mag space groups from Bilbao conserve axes - …
|
|
|
|
@3582
|
7 years |
toby |
deal with mask being set to a single False value; fix wx.Colour in a …
|
|
|
|
@3581
|
7 years |
toby |
fix wx4 wx.Colour issue & take stab at l.get_xdata().mask not …
|
|
|
|
@3580
|
7 years |
toby |
add tube tails to FPA; add grace export to Publ. plot
|
|
|
|
@3579
|
7 years |
vondreele |
fix transformation error for mag cells
disable formation of magnetic …
|
|
|
|
@3578
|
7 years |
vondreele |
remove a stray print stmt
|
|
|
|
@3577
|
7 years |
vondreele |
delete MAXMAGN - not using it any more
fix (maybe) mag constraints; …
|
|
|
|
@3576
|
7 years |
toby |
improve active legend code; FPA: add oversampling & remove smoother …
|
|
|
|
@3575
|
7 years |
vondreele |
add table of alternate space group settings for orthorhombics
remove …
|
|
|
|
@3574
|
7 years |
vondreele |
fix RDF plot axis label & make 21 be upper limit on number of Debye …
|
|
|
|
@3573
|
7 years |
vondreele |
fix 2 bugs in vector rigid body stuff
add setting 1 to setting 2 …
|
|
|
|
@3572
|
7 years |
toby |
fix minor FPA bugs
|
|
|
|
@3571
|
7 years |
toby |
Add FPA peak fitting
|
|
|
|
@3570
|
7 years |
vondreele |
implement auto save after Bilbao result obtained
and auto saveas when …
|
|
|
|
@3568
|
7 years |
vondreele |
finish interface with k-SUBGROUPSMAG output - selection of space group …
|
|
|
|
