|
|
|
@4334
|
5 years |
vondreele |
make new f(q) & g(r) files suitable for RMCProfile. The g(r) == PDF. …
|
|
|
|
@4324
|
5 years |
vondreele |
revised auto spot finder; set default esdMul = 3 everywhere
try …
|
|
|
|
@4241
|
5 years |
toby |
fix for reading .pwdrbck files
|
|
|
|
@4201
|
5 years |
vondreele |
add new chebyschev-1 background function; matches that from old gsas. …
|
|
|
|
@4194
|
6 years |
vondreele |
fix bug in absorption calc for TOF
fix bug if Cancel from default …
|
|
|
|
@4193
|
6 years |
vondreele |
fix comment lines so easier to see in spyder outline
use a dummy …
|
|
|
|
@4192
|
6 years |
vondreele |
fix OnFileReopen?; broke when some file were deleted beforehand
Some …
|
|
|
|
@4191
|
6 years |
vondreele |
put in dummy phase tab & menu for fullrmc
partial implementation of …
|
|
|
|
@4177
|
6 years |
toby |
fix index when a phase has a non-standard spg
|
|
|
|
@4171
|
6 years |
vondreele |
update SHAPES reference & standardize all doi references
|
|
|
|
@4146
|
6 years |
vondreele |
clean up Unit Cells List GUI
|
|
|
|
@4142
|
6 years |
vondreele |
fix panalytical reflectometry mporter - now converts 2theta to q
some …
|
|
|
|
@4135
|
6 years |
vondreele |
Use ValidatedTextCtrl? for lattice parm inpt in General tab
limit …
|
|
|
|
@4113
|
6 years |
vondreele |
add save SHAPES bead models as pdb files from plot - remove option to …
|
|
|
|
@4106
|
6 years |
vondreele |
fixes so plots are correct for SHAPES fitting
|
|
|
|
@4103
|
6 years |
vondreele |
get Pair distribution plot if available when selected
reorder SHAPES …
|
|
|
|
@4101
|
6 years |
vondreele |
progress dilog for SHAPES & more speedup
|
|
|
|
@4097
|
6 years |
vondreele |
implement a fast version of set_box in G2shapes
|
|
|
|
@4095
|
6 years |
vondreele |
improve dmax estimation - use proper selected weights
ditto P(R) …
|
|
|
|
@4094
|
6 years |
vondreele |
SHAPES now complete, but slow.
|
|
|
|
@4092
|
6 years |
vondreele |
fix crash when Add Substance is aborted
fix plot rescales after …
|
|
|
|
@4086
|
6 years |
toby |
Add menu accelerator keys & recently used menu
|
|
|
|
@4084
|
6 years |
vondreele |
fixes to SHAPES results table
fix remaining plot amnesia problems
|
|
|
|
@4081
|
6 years |
vondreele |
|
|
|
|
@4079
|
6 years |
vondreele |
modify SHAPES for better output to GSAS-II
begin plotting capability …
|
|
|
|
@4078
|
6 years |
vondreele |
some finish uo on SHAPES
|
|
|
|
@4077
|
6 years |
vondreele |
add SHAPES capability & all the interface stuff
|
|
|
|
@4076
|
6 years |
vondreele |
fix axes amnesia for PDF plots
add plotting of P(R) pair distribution …
|
|
|
|
@4068
|
6 years |
vondreele |
fix bug in CalcBack? when no background file specified
|
|
|
|
@4065
|
6 years |
vondreele |
background plotting stuff (incomplete)
|
|
|
|
@4064
|
6 years |
vondreele |
fix background editing; now immediately shows effect on background …
|
|
|
|
@4063
|
6 years |
vondreele |
fix triclinic indexing
change "Load cell from phase" to "Load Phase"
|
|
|
|
@4062
|
6 years |
vondreele |
small fixes to G2plot - make indexed lines 3,3 dashed orange lines, …
|
|
|
|
@4060
|
6 years |
toby |
Work on Index Unit Cell display: narrower, allow dragging limits, add …
|
|
|
|
@4044
|
6 years |
vondreele |
remove restriction on doing selective copy of instrument type across …
|
|
|
|
@4028
|
6 years |
vondreele |
fix triclinic indexing problem - leftover from expansion of possible …
|
|
|
|
@4017
|
6 years |
vondreele |
fix input of saved background parms with peaks
|
|
|
|
@4016
|
6 years |
vondreele |
fix problem if magcells True but no list of them (in Unit Cells List) …
|
|
|
|
@3999
|
6 years |
toby |
reorg PDF computation/save as non-GUI code, add PDF to scriptable, doc …
|
|
|
|
@3995
|
6 years |
vondreele |
Add save of indexed peaks to csv file
fix neutron bugs in MEM Dysnomia code
|
|
|
|
@3981
|
6 years |
toby |
fix misc PDF issues
|
|
|
|
@3980
|
6 years |
toby |
fix misc PDF issues
|
|
|
|
@3977
|
6 years |
toby |
Update help info for Sample Parms & add help button
|
|
|
|
@3914
|
6 years |
vondreele |
change OnComputePDF argument from None to tc.event in SampleSizer? - …
|
|
|
|
@3906
|
6 years |
toby |
implement fixed backgound file in Riteveld Fit; show Rietveld & peak …
|
|
|
|
@3886
|
6 years |
vondreele |
change variable SUBGRPUOS --> SubGroups? (avoid possible confusion with …
|
|
|
|
@3876
|
6 years |
toby |
and remove from entry in tree
|
|
|
|
@3875
|
6 years |
toby |
fix error when background PWDR is deleted
|
|
|
|
@3874
|
6 years |
toby |
tweak column selector for small # of columns
|
|
|
|
@3855
|
6 years |
toby |
major speed up with very big sequential fits
|
|
|
|
@3848
|
6 years |
vondreele |
since id is a python routine which could be useful in debugging, …
|
|
|
|
@3832
|
6 years |
vondreele |
fix reflection list & 3D HKL plots for modulated structures
|
|
|
|
@3824
|
6 years |
vondreele |
do ResetFlatBkg? for changing PDF background/container files & …
|
|
|
|
@3821
|
6 years |
vondreele |
more changes for incommensurate mag str fctr
remove GUI update after …
|
|
|
|
@3810
|
6 years |
toby |
fix range object in GPX file; fix spurious warning on tutorial update
|
|
|
|
@3795
|
6 years |
vondreele |
fix space group & incommensurate space group displays for mag. …
|
|
|
|
@3787
|
6 years |
vondreele |
remove stray print statement
fix issues with doing incommensurate cell …
|
|
|
|
@3786
|
6 years |
vondreele |
fix problem of import ElementTable? inside spyder
allow import o …
|
|
|
|
@3783
|
6 years |
vondreele |
fix Bruker read problem - checked with 1 & 2 block RAW 1.01 files
add …
|
|
|
|
@3761
|
6 years |
vondreele |
avoid replotting structure if atom refine flags are changed
add new …
|
|
|
|
@3753
|
6 years |
vondreele |
fix run k-SUBGROUPSMAG bug
|
|
|
|
@3746
|
7 years |
vondreele |
change LeBail? GUI to reflect state of the newLeBail flag.
|
|
|
|
@3745
|
7 years |
vondreele |
fix dmin problem in Unit Cells cell refinement, etc.
add magnetic spin …
|
|
|
|
@3737
|
7 years |
vondreele |
reorder descriptions in front of G2ctrlGUI to alpha order - now easier …
|
|
|
|
@3736
|
7 years |
vondreele |
modifications to allow Load Unit Cell command for incommensurate …
|
|
|
|
@3730
|
7 years |
toby |
relabeled superlattice to make more clear…
|
|
|
|
@3719
|
7 years |
vondreele |
patch for old k-SUBGROUPSMAG results
modifications to views of super …
|
|
|
|
@3716
|
7 years |
vondreele |
implement new version of SUBGROUPS & k-SUBGROUPDMAG that return …
|
|
|
|
@3712
|
7 years |
vondreele |
add new configuration item: PDF_Rmax maximum radius for G(r) …
|
|
|
|
@3709
|
7 years |
vondreele |
fixes to enables for LoadCell? & run Bilbao stuff
|
|
|
|
@3693
|
7 years |
vondreele |
magAtoms --> magAtms spelling error n RefreshMagCellsGrid?
allow …
|
|
|
|
@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 …
|
|
|
|
@3681
|
7 years |
vondreele |
change Panalytical importer to read multi xrdMeasurement blocks - can …
|
|
|
|
@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
|
|
|
|
@3669
|
7 years |
vondreele |
combine maximal & Landau filters as either one (not both - made no …
|
|
|
|
@3665
|
7 years |
vondreele |
go to 3 k-vectors (works)
remove intermediate space groups options per …
|
|
|
|
@3656
|
7 years |
vondreele |
skip P_A --> P_I conversion: fails
add status bar note for Try …
|
|
|
|
@3654
|
7 years |
vondreele |
fix to bug if no atom types selected for mag atom check
add code to …
|
|
|
|
@3652
|
7 years |
toby |
add keys to cycle through magnetic cells
|
|
|
|
@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 …
|
|
|
|
@3633
|
7 years |
vondreele |
extend Unit Cells List Bravais lattice choices to include Ammm and …
|
|
|
|
@3621
|
7 years |
vondreele |
Modify Transform tool to allow setting spins & displaying operators …
|
|
|
|
@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 …
|
|
|
|
@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
|
|
|
|
@3600
|
7 years |
vondreele |
add capability to save & load background parameters to/from a file
|
|
|
|
@3593
|
7 years |
vondreele |
modify the Bilbao dialog; change kx, ky & kz to be ComboBox? of …
|
|
|
|
@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 …
|
|
|
|
