|
|
@2594
|
7 years |
toby |
Center Pawley input window
|
|
|
@2593
|
7 years |
toby |
Add Pawley settings menu item; open Phases and selected data tree item …
|
|
|
@2588
|
7 years |
vondreele |
TextCtrl? --> ValidatedTxtCtrl? for Pawley dmin & wt
|
|
|
@2572
|
7 years |
vondreele |
TextCtrl? -- ValidatedTextCtrl?
|
|
|
@2551
|
7 years |
vondreele |
clean up G2imageGUI
Add start on autoSpot mask - not complete
some …
|
|
|
@2550
|
7 years |
vondreele |
fix binary import for Bruker raw files
fix issues for new atoms in mag …
|
|
|
@2546
|
7 years |
vondreele |
cleanup of all GSASII main routines - remove unused variables, dead …
|
|
|
@2544
|
7 years |
vondreele |
major cleanup of unused variables, etc.
|
|
|
@2530
|
7 years |
vondreele |
finish window placement rules - data display window upper right is …
|
|
|
@2522
|
7 years |
vondreele |
Do Ivo's changes & some more work on mag derivatives.
|
|
|
@2521
|
7 years |
toby |
extensions to Peak List: vary via menu items; animate line dragging; …
|
|
|
@2517
|
7 years |
vondreele |
Fix problem with hand entering atom Type - will now bring up periodic …
|
|
|
@2516
|
7 years |
toby |
revise import to not assume Bank 1 with multibank instparm files; deal …
|
|
|
@2512
|
7 years |
vondreele |
remove 'constraint' and 'restraint' from Consraints & Restraints tabs …
|
|
|
@2504
|
7 years |
vondreele |
fix typo in G2VarObj repr 'str' not 'self'
set correct Scale for …
|
|
|
@2501
|
7 years |
vondreele |
fix (again!) mag moment drawings
clean up testDeriv
|
|
|
@2497
|
7 years |
vondreele |
further work on mag derivatives all seem ok except Mx, My, & Mz
|
|
|
@2492
|
7 years |
vondreele |
fix handling of Lande g factor
fix Mag structure factor calcs - now OK …
|
|
|
@2491
|
7 years |
vondreele |
fix bug for call to GetPhaseData? in export phase
put in stub for …
|
|
|
@2486
|
7 years |
vondreele |
fix mag form factor lookup - some aren't chemical valences (e.g. Fe+4) …
|
|
|
@2485
|
7 years |
toby |
add Compute density to Phase/atoms
|
|
|
@2483
|
7 years |
vondreele |
fix site symmetry issues for magnetic moments on special positions
|
|
|
@2482
|
7 years |
vondreele |
allow atom constraints between phases
|
|
|
@2481
|
7 years |
vondreele |
force Transform to delete nonmagnetic atoms if phase made magnetic & …
|
|
|
@2480
|
7 years |
vondreele |
add make magnetic phase to General/Transform? option
trap missing rigid …
|
|
|
@2476
|
7 years |
vondreele |
Add new feature to structure plots - display an hkl plane or stack of …
|
|
|
@2475
|
7 years |
vondreele |
fix spin transform errors - now match old GSAS
fix spin flip import …
|
|
|
@2474
|
7 years |
vondreele |
fix spin inversion plot & some refine list issues
|
|
|
@2473
|
7 years |
vondreele |
work on magnetic structures - import from EXP, plotting, LS refine …
|
|
|
@2471
|
7 years |
vondreele |
complete atom/draw atom editing for magnetic structures
|
|
|
@2470
|
7 years |
vondreele |
magnetic structure editing/drawing work - includes site symm restrictions
|
|
|
@2468
|
7 years |
vondreele |
add dzero calc from compression 2D images
plot magnetic structures; …
|
|
|
@2467
|
7 years |
vondreele |
modify 2D strain Dcalc to be dmin+(dmax-dmin)/4. per Yan Gao
begin …
|
|
|
@2464
|
7 years |
vondreele |
magnetic space group work - spin flip display
|
|
|
@2461
|
7 years |
vondreele |
magnetic space group determination done
|
|
|
@2458
|
7 years |
vondreele |
Mag space group work
|
|
|
@2451
|
7 years |
vondreele |
Add target atom type selection to sphere of enclosure
|
|
|
@2450
|
7 years |
vondreele |
fix error in matrix in getCellEsd & RetDistAngle?
Add new atom drawing …
|
|
|
@2431
|
7 years |
vondreele |
fix problem with wxPython 3.x with changing text entry focus. Needed a …
|
|
|
@2430
|
7 years |
vondreele |
force limits from d-min to be within allowed range & less than 168.5 …
|
|
|
@2429
|
7 years |
vondreele |
force powder histograms limits to conform to dmin choice for Pawley …
|
|
|
@2423
|
7 years |
vondreele |
fix bug in charge flip phase plotting
|
|
|
@2406
|
7 years |
vondreele |
change spin flip from red/black to -1/1
|
|
|
@2401
|
7 years |
vondreele |
begin adding magnetism; change space group fortran code
modify …
|
|
|
@2311
|
7 years |
vondreele |
add tracking of 5 user selected reflection phases during charge …
|
|
|
@2285
|
7 years |
vondreele |
add importer for Shelx .ins files
also one for old GSAS Pnn powder …
|
|
|
@2278
|
7 years |
vondreele |
add calculation of total fault density to Layers GUI
trap another plot …
|
|
|
@2276
|
7 years |
vondreele |
show plotted layer names on plot status bar
|
|
|
@2272
|
7 years |
vondreele |
add Stacking Faults II tutorial
add a Copy Phase command to Layers …
|
|
|
@2249
|
7 years |
vondreele |
fix bug in stacking fault dialog
add stacking fault-I to tutorial menu
|
|
|
@2245
|
7 years |
vondreele |
add a line to the layer GUI informing lack of refinement capability …
|
|
|
@2243
|
7 years |
vondreele |
put Dx,Dy & Dz into future stacking fault parameters
|
|
|
@2242
|
7 years |
vondreele |
change default stack inst to Gaussian
provide labels for plots of …
|
|
|
@2237
|
7 years |
vondreele |
Add a useful print in stacking simulations
trap PyAssertionErrors? & …
|
|
|
@2236
|
7 years |
vondreele |
allow delete last layer & fraction input for stacking probability
|
|
|
@2234
|
7 years |
toby |
implement code to select appropriate tree time when a plot tab is selected
|
|
|
@2233
|
7 years |
vondreele |
force transposed phase atoms to be in unit cell
modify structure plot …
|
|
|
@2230
|
7 years |
vondreele |
comment out the Atoms Rotate menu option - might be ill conceived
|
|
|
@2229
|
7 years |
vondreele |
Add Atom Rotate option
|
|
|
@2218
|
7 years |
vondreele |
work on cell transformations - fills new cell with unique atom set, …
|
|
|
@2216
|
7 years |
vondreele |
implement import layer from another gpx file
|
|
|
@2212
|
7 years |
vondreele |
Implement 'abc*' as one of the 'Common' cell transformations. …
|
|
|
@2211
|
7 years |
vondreele |
some work on Transform Phase menu item.
uncomment the if Page.context …
|
|
|
@2210
|
7 years |
vondreele |
Add messages for completion of simulations
|
|
|
@2209
|
7 years |
vondreele |
Add symmetry (inversion thru ccenter!) to transition probability …
|
|
|
@2207
|
7 years |
vondreele |
remove DIFFaX.exe from bin directories - no longer used
|
|
|
@2206
|
7 years |
vondreele |
find errors in stacking fortran - replace both binwin directories …
|
|
|
@2205
|
7 years |
vondreele |
implement sequential stacking fault calculations with plotting
fix PlotXY
|
|
|
@2204
|
7 years |
vondreele |
fix stacking fault initial setup bug
|
|
|
@2197
|
7 years |
vondreele |
replace pyd files for binwin2.7 & binwin64-2.7
implement new pyGetSpc …
|
|
|
@2195
|
7 years |
vondreele |
remove selected area image multiplier - not necessary
fix image …
|
|
|
@2191
|
7 years |
vondreele |
reduce printing from DIFFaX routines - new fortran binaries
fix bug in …
|
|
|
@2187
|
7 years |
vondreele |
Modify the Cite please banners to add small angle & DIFFaX references …
|
|
|
@2184
|
7 years |
vondreele |
fix problems in adding atoms, etc for 'faulted' phases in the regular …
|
|
|
@2183
|
8 years |
vondreele |
fix General - atomic wt. now updated on isotope change
add new …
|
|
|
@2182
|
8 years |
vondreele |
change selected area diffr multiplier to be pwrs of 2
change layer …
|
|
|
@2181
|
8 years |
vondreele |
remove stray print from G2plot
cleanup stacking sequence part of Stack …
|
|
|
@2177
|
8 years |
vondreele |
add ranges to Sadp plots
|
|
|
@2176
|
8 years |
vondreele |
add some labels to selected area plots
|
|
|
@2175
|
8 years |
vondreele |
modify DIFFaXDialog - more parameters
add selected are plot as a pylab plot
|
|
|
@2174
|
8 years |
vondreele |
fix image integrate and integrate all with dark & background images …
|
|
|
@2172
|
8 years |
vondreele |
add new dialog for DIFFaX controls (now empty)
fix layer pair plotting …
|
|
|
@2170
|
8 years |
vondreele |
fix isotope problem for atyoms with no "Nat. Abund."
add scale & …
|
|
|
@2167
|
8 years |
vondreele |
clean up of stacking fault stuff
|
|
|
@2166
|
8 years |
vondreele |
add GetMeanWave? to G2math to return Ka-bar
more work on Stacking …
|
|
|
@2165
|
8 years |
vondreele |
stacking fault plots now OK
add new menu item - 'simulate'
|
|
|
@2163
|
8 years |
vondreele |
plotting of stacking layers, some stacking GUI changes
|
|
|
@2162
|
8 years |
vondreele |
oops fix
|
|
|
@2161
|
8 years |
vondreele |
Add GUI for layer stacking structures - almost complete; new phase …
|
|
|
@2154
|
8 years |
vondreele |
remove range restriction on LGmix - inhibited doing refinements
do …
|
|
|
@2138
|
8 years |
vondreele |
Add a Use data menu item in the phase Data tab to allow global …
|
|
|
@2132
|
8 years |
vondreele |
more rationalization of FWHM calculations
|
|
|
@2116
|
8 years |
vondreele |
change error message about 'X' space groups!
add Transform stub in …
|
|
|
@2113
|
8 years |
vondreele |
better cleanup when main window is closed
add FlagSetDialog? class & …
|
|
|
@2111
|
8 years |
vondreele |
fix to mod vec edit & search
comment out unused StructureFactorDerv? …
|
|
|
@2110
|
8 years |
vondreele |
add menu item for global setting of wave vary parameters - TBD
split …
|
|
|
@2109
|
8 years |
toby |
Andrey's enhancement: keep track of last GPX, import & export …
|
|
|
@2100
|
8 years |
vondreele |
add CFXraySingleCrystal to list of tutorials
fix bug in AtomInsert? - …
|
|
|
@2097
|
8 years |
vondreele |
name fix in AtomTypeSelect? - remove ( & )
split StructureFactorDeriv? …
|
|
|
@2077
|
8 years |
vondreele |
refactor wave data display to do one atom at a time instead of a long GUI
|
|
|