|
|
|
@5702
|
8 days |
vondreele |
small revisions of atom deformation stuff
|
|
|
|
@5700
|
4 weeks |
vondreele |
Add "Suprise" factor to PWDR main page display & as a plot in Cluster …
|
|
|
|
@5695
|
5 weeks |
toby |
add supergroup search
|
|
|
|
@5683
|
7 weeks |
vondreele |
change checkbox column in Impact results table to 'T' or blank text. …
|
|
|
|
@5678
|
8 weeks |
vondreele |
change default contour color to GSpaired in scanCCD
small updates to …
|
|
|
|
@5671
|
8 weeks |
vondreele |
fix scanCCD - old wx version of menu.Append was used.
fix plotting of …
|
|
|
|
@5669
|
2 months |
vondreele |
add reference for orbital tables
remove superfluous Start argument …
|
|
|
|
@5668
|
2 months |
vondreele |
remove D(l,-m) terms from deformation model - they were always +/- the …
|
|
|
|
@5667
|
2 months |
vondreele |
allow selection of multiple atoms for deformation; previous selected …
|
|
|
|
@5666
|
2 months |
toby |
Add xform to standard setting from Bilbao
|
|
|
|
@5663
|
2 months |
vondreele |
Implement 1st draft of atom deformation refinement - functions from …
|
|
|
|
@5649
|
4 months |
toby |
fix MacOS horizontal line problem; update fullrmc citation
|
|
|
|
@5633
|
5 months |
toby |
add activate command for pdffit2
|
|
|
|
@5631
|
5 months |
toby |
force use of pdffit2 version 1.2.0 as 1.4 seems broken
|
|
|
|
@5630
|
5 months |
toby |
adapt for new pdffit2
|
|
|
|
@5628
|
5 months |
toby |
cleanup pdffit2 install
|
|
|
|
@5627
|
5 months |
vondreele |
fix crash on importing phase from gpx file - miss set magPhases entry
|
|
|
|
@5621
|
6 months |
toby |
fix bug where Fourier map deleted restraints
|
|
|
|
@5591
|
7 months |
toby |
fix DIFFaX GUI bug
|
|
|
|
@5588
|
7 months |
toby |
finish up making a series of subgroup projects
|
|
|
|
@5586
|
7 months |
vondreele |
changes to allow generalized atomic form factors (beginning)
Some …
|
|
|
|
@5581
|
7 months |
toby |
fix restraints bug on phase rename; create new projects from Bilbao …
|
|
|
|
@5574
|
7 months |
toby |
more changes for nice outline in ReadTheDocs? Sphinx docs
|
|
|
|
@5556
|
7 months |
toby |
add Bond distance restraint API to scripting; allow copy of HAP items …
|
|
|
|
@5539
|
8 months |
vondreele |
round Amat & Bmat from cell2AB so that M{i:j] < 1e-12 = 0; also Qmat …
|
|
|
|
@5537
|
8 months |
toby |
fix for MPL 3.3; xform phase: include O atoms
|
|
|
|
@5536
|
8 months |
vondreele |
move the ci lambda to be inside G2Slider & make slider length 200 …
|
|
|
|
@5533
|
8 months |
vondreele |
add option to MC/SA result plotting to not show atom labels (no labels …
|
|
|
|
@5526
|
8 months |
vondreele |
more fixes to spin RBs, derivatives, colors, etc.
|
|
|
|
@5525
|
8 months |
toby |
properly delete phase tab contents before refilling, but keeping Grids …
|
|
|
|
@5523
|
9 months |
vondreele |
force RMCProfile files to always be written to directory containing …
|
|
|
|
@5522
|
9 months |
vondreele |
more fixes to sp. harm. derivatives
change list of atoms in RB to be …
|
|
|
|
@5520
|
9 months |
vondreele |
New version of spinning RBs - radius is now a parameter of each shell. …
|
|
|
|
@5517
|
9 months |
toby |
allow RMCprofile setup w/1 histogram; based on Yuanpeng PR 'fix the …
|
|
|
|
@5513
|
9 months |
vondreele |
fix normalization issues in G2lat.H2ThPh to avoid divide by zeros
spin …
|
|
|
|
@5510
|
9 months |
vondreele |
remove spin RB origin parameters - redundant
|
|
|
|
@5509
|
9 months |
vondreele |
more fixes to spin RB GUI & math.
Implement corrections to CalcPDF as …
|
|
|
|
@5502
|
10 months |
vondreele |
bug fix for progress bar & sequential peak fitting.
bug fixes for spin …
|
|
|
|
@5495
|
10 months |
vondreele |
make importer for Rigaku .rasx powder files
editor fixes for spin RB & …
|
|
|
|
@5494
|
10 months |
vondreele |
fixes to spin RB stuff - now will refine (no derivatives yet)
|
|
|
|
@5483
|
10 months |
toby |
add NIST*LATTICE compare cells
|
|
|
|
@5482
|
10 months |
toby |
implement NIST*LATTICE search for higher sym cells; change numbering …
|
|
|
|
@5478
|
11 months |
vondreele |
fixes to RMCProfile dat file prep
more updates to sp. harm stuff
|
|
|
|
@5477
|
11 months |
vondreele |
fixes to progress update in G2math.
|
|
|
|
@5475
|
11 months |
vondreele |
spin rb changes - now define polar axis direction
|
|
|
|
@5472
|
11 months |
vondreele |
fixes (in progress) to sph harm stuff.
fix float bug in ProgressBar? Update
|
|
|
|
@5465
|
11 months |
vondreele |
removed a patch about spin RBs
|
|
|
|
@5464
|
11 months |
vondreele |
remove Qa, Qb,... from atom lists. Variety not needed; all spin RB are …
|
|
|
|
@5460
|
11 months |
vondreele |
fix to SetupGeneral? for multiple shells
correct sph harm multiplier …
|
|
|
|
@5454
|
11 months |
vondreele |
fixes to SetupGeneral? to get correct composition for spinning RB with …
|
|
|
|
@5453
|
11 months |
vondreele |
Add SetMax? & SetMin? to G2Slider; Change size=None to size=(50,20) in …
|
|
|
|
@5451
|
12 months |
toby |
undo spaces removed in v5449; minor changes
|
|
|
|
@5449
|
12 months |
vondreele |
change Zclip max to be 2.*cameraPos & min = 1.0; Zclip fixed upon …
|
|
|
|
@5446
|
12 months |
toby |
Slider & Dark Mode fixes; remove position from graph toolbar; remove …
|
|
|
|
@5445
|
12 months |
toby |
set limits on Zclip textctrl
|
|
|
|
@5444
|
12 months |
toby |
start on py3.10 fixes & dark mode fixes
|
|
|
|
@5443
|
12 months |
vondreele |
fix to the Paired problem in colors - new GSPaired & GSPaired_r …
|
|
|
|
@5433
|
12 months |
vondreele |
atmdata - add required QA-QD info
ElementTable? - add QA-QD info …
|
|
|
|
@5354
|
14 months |
vondreele |
remove "magnetic" O atom from possible magnetic ion lists from …
|
|
|
|
@5352
|
14 months |
toby |
add ability to merge chem and magnetic phases in a quick CIF
|
|
|
|
@5343
|
14 months |
vondreele |
fix issue with TOF data in getPawleydRange & remove an obviously not …
|
|
|
|
@5341
|
14 months |
toby |
Pawley work: force dmin & max to be in range of data (now shown); show …
|
|
|
|
@5328
|
15 months |
toby |
fullrmc new paper update
|
|
|
|
@5320
|
16 months |
toby |
more fullrmc work (all but swaps done?); misc docs fixes
|
|
|
|
@5317
|
17 months |
toby |
fullrmc updates
|
|
|
|
@5313
|
17 months |
toby |
bypass RMCprofile ionic species bug; start on rigid body fullrmc …
|
|
|
|
@5306
|
17 months |
toby |
collect atoms & fullrmc fixes
|
|
|
|
@5288
|
19 months |
toby |
add routines to install gsl and/or diffpy.pdffit2, possibly in a …
|
|
|
|
@5285
|
19 months |
toby |
multiple PDFfit2 changes; seems to work well on Windows w/3.7, 3.8 & 3.9
|
|
|
|
@5278
|
19 months |
toby |
pdffit2 binary split from .py files; works on Mac
|
|
|
|
@5272
|
19 months |
toby |
fix Pawley guidance & some html bookmarks
|
|
|
|
@5269
|
19 months |
toby |
add config var for pdffit2 and show err message
|
|
|
|
@5257
|
21 months |
vondreele |
Add '?' to various places & all connect to help pages with text filled …
|
|
|
|
@5250
|
21 months |
toby |
fixes for wx4.1; cleanup for Rigid Body GUI
|
|
|
|
@5248
|
21 months |
vondreele |
'?' help button for Pawley reflection tab
|
|
|
|
@5247
|
21 months |
vondreele |
add missing file close in G2pwd MEMupdateReflData
change in G2plots …
|
|
|
|
@5244
|
21 months |
vondreele |
change check box to button
more edits for gsasII-phase.html
|
|
|
|
@5238
|
21 months |
toby |
similar warning for Pawley not set up
|
|
|
|
@5237
|
21 months |
toby |
Add message for misuse of texture
|
|
|
|
@5220
|
21 months |
vondreele |
Minor correction to PDFfit initialization stuff in G2phsGUI
|
|
|
|
@5218
|
21 months |
vondreele |
fix copy issues in TransformDialog? so that new phase is independent of …
|
|
|
|
@5214
|
21 months |
vondreele |
yet another fi to seq PDFfit - fix tabulation error
|
|
|
|
@5210
|
21 months |
vondreele |
add more to bad copy error for instrument parameters
fixes to seq. PDFfit
|
|
|
|
@5206
|
21 months |
vondreele |
one more fix to seq. PDFfit
|
|
|
|
@5205
|
21 months |
vondreele |
more fixes to pdffit & sequential PDFfit - now working
|
|
|
|
@5203
|
21 months |
vondreele |
fix 'Type' bug in getBackground for stacking fault simulations
add new …
|
|
|
|
@5197
|
22 months |
vondreele |
introduce 4 PDFfit tutorials to GSAS-II
some fixes driven by tutorial …
|
|
|
|
@5193
|
22 months |
vondreele |
fix q-plot reflection marker bug
|
|
|
|
@5188
|
22 months |
vondreele |
fix G2pwd.UpdatePDFfit to correctly update data set variables (dscale, …
|
|
|
|
@5183
|
22 months |
vondreele |
Add a list of atoms moved by each ISO mode
|
|
|
|
@5166
|
22 months |
vondreele |
implement ISODISTORT displacement mode parameters for PDFfit
limited …
|
|
|
|
@5163
|
23 months |
vondreele |
implement structure drawing that follows changes from sequential PDFfits
|
|
|
|
@5162
|
23 months |
vondreele |
add an "Are you sure" to the save distortion mode values button
fix …
|
|
|
|
@5161
|
23 months |
vondreele |
cleanup constraint display - remove excessive wx.RIGHT,wx.LEFT, etc. - …
|
|
|
|
@5158
|
23 months |
vondreele |
correct keys for sequential PDFfit refinements - now all int
|
|
|
|
@5157
|
23 months |
toby |
clean up ISODISTORT GUI and add ne buttons
|
|
|
|
@5152
|
23 months |
vondreele |
fix RMC GUI options for PDFfit
fix background Bragg peak fits for EDX data
|
|
|
|
@5147
|
23 months |
vondreele |
Add new routine to G2lat - AplusDij? & use it in a couple of places
add …
|
|
|
|
@5146
|
23 months |
toby |
fix slider
|
|
|
|
@5144
|
23 months |
vondreele |
G2pwd - close file left unclosed (fqdata)
skip generating …
|
|
|
|
