|
|
|
@3402
|
5 years |
vondreele |
fix missing 'linescan' problem in old files
fix cell/atom …
|
|
|
|
@3397
|
5 years |
vondreele |
fix Constraints problem when no histograms (or phases)
display new BNS …
|
|
|
|
@3396
|
5 years |
vondreele |
set refList=False for a couple of calls to GetHistogramPhaseData? where …
|
|
|
|
@3393
|
5 years |
vondreele |
implement GUI to change BNS lattice centering for magnetic space …
|
|
|
|
@3356
|
5 years |
vondreele |
remove commented out SetTitle? & SetLabel? for data window from various …
|
|
|
|
@3355
|
5 years |
toby |
name main & plot window against project name, remove other SetTitle? calls
|
|
|
|
@3353
|
5 years |
vondreele |
remove call to paint after selecting all atoms. (paint cleared …
|
|
|
|
@3336
|
5 years |
vondreele |
fix atom multiplicity doubling if centro & magnetic imported from cif …
|
|
|
|
@3335
|
5 years |
vondreele |
fix display of magnetic symmetry operators with colors ("Show spins")
|
|
|
|
@3329
|
5 years |
vondreele |
fix 2 integer divide errors in the Omit map routine
fix error …
|
|
|
|
@3325
|
5 years |
vondreele |
add importer for Bruker image FORMAT 100 files
fix AAprobability plots …
|
|
|
|
@3317
|
5 years |
vondreele |
magnetic site symmetry restrictions on moments & magnetic site …
|
|
|
|
@3312
|
5 years |
toby |
fix layers crashes, change checkbuttons to buttons for GUI consistency
|
|
|
|
@3311
|
5 years |
vondreele |
remove unused SytSym? argument from GetCSpqinel - not needed
|
|
|
|
@3308
|
5 years |
vondreele |
more fixes for mag site symmetry constraints
|
|
|
|
@3307
|
5 years |
vondreele |
provide print tool for magnetic space group operators that can be fed …
|
|
|
|
@3302
|
5 years |
vondreele |
mag sym fixes
|
|
|
|
@3300
|
5 years |
vondreele |
magnetic phase changes, check importers, read old gpxfiles, etc.
|
|
|
|
@3297
|
5 years |
vondreele |
progress on magnetism - BNS system ok for monoclinic, orthorhombic, …
|
|
|
|
@3296
|
5 years |
vondreele |
add selection for mustain, size & 3D pole distribution projections
|
|
|
|
@3295
|
5 years |
vondreele |
remove superfluous calls to SpcGroup? after SGData has been defined
add …
|
|
|
|
@3291
|
5 years |
toby |
Make sure General always displays appropriate menus
|
|
|
|
@3287
|
5 years |
vondreele |
fix atom transformation issues in modulation drawings.
|
|
|
|
@3283
|
5 years |
vondreele |
fix texture plot problem
|
|
|
|
@3282
|
5 years |
vondreele |
proper handling of gray group supersymmetry symbols, fix special …
|
|
|
|
@3281
|
5 years |
vondreele |
again phase change gui fix
|
|
|
|
@3280
|
5 years |
vondreele |
revisit change phase - still have flicker issues
|
|
|
|
@3279
|
5 years |
toby |
make sure new phases get selected in tree; call critical bits (what …
|
|
|
|
@3278
|
5 years |
vondreele |
undo move to unit cell before modulation
fix (again) General tab display
|
|
|
|
@3277
|
5 years |
vondreele |
fix to General phase display issue
|
|
|
|
@3276
|
5 years |
vondreele |
fixes to WaveSizer? for individual wavetypes.
fixes to GetSSfxuinel to …
|
|
|
|
@3273
|
5 years |
toby |
fixup tab landing for phases
|
|
|
|
@3270
|
5 years |
toby |
revise plot update code; add plotting docs & cleanup; always use last …
|
|
|
|
@3269
|
5 years |
vondreele |
fix editing of wave data to account for new waveType definitions
|
|
|
|
@3268
|
5 years |
vondreele |
begin work on incommensurate mag SF calcs.
fix problem with fade calc. …
|
|
|
|
@3266
|
5 years |
vondreele |
change modulated wave type assignments so one for each kind of wave …
|
|
|
|
@3258
|
5 years |
toby |
Apply Dij values to lattice constants
|
|
|
|
@3257
|
5 years |
vondreele |
fixes to incommensurate space group symbol handling
|
|
|
|
@3254
|
5 years |
vondreele |
fix XsSave? names problem (G2IO)
try to get ProgressBar? box to stay on …
|
|
|
|
@3247
|
5 years |
vondreele |
implement pick of protein validation bar - new view point on structure …
|
|
|
|
@3245
|
5 years |
vondreele |
fix problem with incommensurate magnetic structures from CIFhklReader …
|
|
|
|
@3244
|
5 years |
vondreele |
deal with incomplete residues in residue rigid body assign - they are …
|
|
|
|
@3243
|
5 years |
vondreele |
G2ctrlGUI: comment about PyGridTableBase? - python 3?
move VALIDPROTEIN …
|
|
|
|
@3241
|
5 years |
vondreele |
Add Nobs to print from Hessian LS
fix bug in setting global TLS …
|
|
|
|
@3239
|
5 years |
vondreele |
implement use of 2-site disordered amino acid residues in proteins: …
|
|
|
|
@3234
|
5 years |
vondreele |
new G2spc.SSChoice routine finds all allowed super space group symbols …
|
|
|
|
@3231
|
5 years |
vondreele |
fix bug in IndexPeaks? display
fix import pypowder issue in G2math
fix …
|
|
|
|
@3222
|
5 years |
vondreele |
fix missing SGGray in incommensurate structures
|
|
|
|
@3221
|
5 years |
vondreele |
fix import of magnetic structures from .EXP files
complete list of pre …
|
|
|
|
@3220
|
5 years |
vondreele |
minor fixes to commensurate magnetic cif import & display
|
|
|
|
@3219
|
5 years |
vondreele |
fix import mag commensurate structures - all drawn correctly now …
|
|
|
|
@3215
|
5 years |
vondreele |
mag incommensurate stuff
|
|
|
|
@3212
|
5 years |
vondreele |
fix problem of missing rd.MPhase in phase imports
work on display of …
|
|
|
|
@3211
|
5 years |
vondreele |
fix integer divide in wave display
some fixes to mcif import
|
|
|
|
@3210
|
5 years |
vondreele |
some fixes for magnetic incommensurate cifs - dealing with 2 different …
|
|
|
|
@3208
|
5 years |
vondreele |
fix transformation bug abc -> abc* needed transform of matrix - …
|
|
|
|
@3197
|
5 years |
vondreele |
Rearrange SingleStringDialog? window - put '?' at end of text box …
|
|
|
|
@3194
|
5 years |
vondreele |
fix to CifFile?
fixes to cbf & tif importers for new Pilatus 2M …
|
|
|
|
@3171
|
6 years |
vondreele |
fix missing window size parameter
changes to super symmetry selection stuff
|
|
|
|
@3168
|
6 years |
vondreele |
fix phase data copy operations - needed copy.deepcopy in 2 places …
|
|
|
|
@3148
|
6 years |
vondreele |
fix problem with atom refine & I/A selection; 2.7 &7 3.6 compliant
|
|
|
|
@3136
|
6 years |
vondreele |
make GSAS-II python 3.6 compliant & preserve python 2.7 use;changes: …
|
|
|
|
@3103
|
6 years |
vondreele |
show seq. result in structure drawing - steps thru histograms changing …
|
|
|
|
@3101
|
6 years |
vondreele |
change SetScrollRate?(1,1) to SetScrollRate?(10,10) - improves scrolling …
|
|
|
|
@3100
|
6 years |
vondreele |
implement fix FXU for sequential refinements
|
|
|
|
@3099
|
6 years |
vondreele |
fixes to protein validation code
|
|
|
|
@3097
|
6 years |
vondreele |
fix origin shift transformation & vec,matrix, vec transformations; now …
|
|
|
|
@3095
|
6 years |
vondreele |
add new confit parm: Show_timing
enable editing of the Use column in …
|
|
|
|
@3092
|
6 years |
vondreele |
change # decimal places on pseudovariables from 3 to 5
fix bug on …
|
|
|
|
@3079
|
6 years |
vondreele |
implement rigid body reference vectors
|
|
|
|
@3058
|
6 years |
vondreele |
fix name problem in G2dataGUI; replace GetItemPyData? with GetItemText? …
|
|
|
|
@3054
|
6 years |
vondreele |
fixes to MCSA gui routines; trap <3 atom RBs
fix missing AtLookup? …
|
|
|
|
@3048
|
6 years |
vondreele |
remove item from config_example.py
fix bug in FindAtomsDraw?
implement …
|
|
|
|
@3045
|
6 years |
vondreele |
plot both protein vlidators (#2 still in erroe)
remove config value …
|
|
|
|
@3033
|
6 years |
vondreele |
fixes to protein validate, "old" works; not "old" close but not perfect
|
|
|
|
@3030
|
6 years |
vondreele |
make protein validation work with old (works) and new (doesn't work) …
|
|
|
|
@3029
|
6 years |
vondreele |
implement correctly errat for protein validation; erratv2 not right
|
|
|
|
@3000
|
6 years |
toby |
make the two frame version the trunk as we hit version 3000
|
|
|
|
@2880
|
6 years |
toby |
Fix copy flags for non-isotropic size/strain models
|
|
|
|
@2875
|
6 years |
toby |
Allow space group entry by number; move SGMessageBox to GSASIIctrls
|
|
|
|
@2873
|
6 years |
toby |
more fixes & cleanup for phase/data window
|
|
|
|
@2872
|
6 years |
toby |
include only added histograms in Phase/Data? operations
|
|
|
|
@2864
|
6 years |
vondreele |
new delete hist
|
|
|
|
@2863
|
6 years |
vondreele |
extend contour color selection to include reversed ones (doubles the …
|
|
|
|
@2853
|
6 years |
vondreele |
remove a 'exposed' test print statement
add a print of SVD zeros …
|
|
|
|
@2843
|
6 years |
vondreele |
fix focus issues from lists of histograms in tree
|
|
|
|
@2842
|
6 years |
toby |
cleanups: crash in show LS params; show constraint vars; set filters …
|
|
|
|
@2841
|
6 years |
vondreele |
fix DData & RBmodel selection tables to allow use of up/down arrows - …
|
|
|
|
@2840
|
6 years |
vondreele |
fix PDB importer & reimport atoms
rework RB GUI - now shows just one …
|
|
|
|
@2834
|
6 years |
vondreele |
fix bug on display of Texture fit error
|
|
|
|
@2809
|
6 years |
vondreele |
add new transform option for moving atoms from setting #1 --> #2
|
|
|
|
@2807
|
6 years |
vondreele |
fix offset problem in Bruker RAW powder importer
Some wordsmithing of …
|
|
|
|
@2806
|
6 years |
toby |
Revise space group entry
|
|
|
|
@2800
|
6 years |
vondreele |
fix a simulation output format
use a couple of wx.CallAfter? to fix …
|
|
|
|
@2770
|
6 years |
vondreele |
fix import new phase behavior - wasn't finishing properly
fix HKL …
|
|
|
|
@2750
|
6 years |
vondreele |
fix issues with adding new phase, forgetting to add atoms to it,
and …
|
|
|
|
@2745
|
6 years |
vondreele |
fixes to SetPhaseWindow? so scroll is over entire range of grids & …
|
|
|
|
@2737
|
6 years |
vondreele |
RB fix
|
|
|
|
@2735
|
6 years |
vondreele |
set default flight path = 20. in case FPATH0 missing from TOF Iparm …
|
|
|
|
@2726
|
6 years |
vondreele |
fix data window resizing problem after DoRefine?
trap Pawley issues …
|
|
|
|
