|
|
@4433
|
3 years |
toby |
fix problem where histogram has reflections, but is not in phase; …
|
|
|
@4432
|
3 years |
vondreele |
change ifConstraint flag in Transform to False
flag missing reflection …
|
|
|
@4431
|
3 years |
toby |
new code for locating RBs; redo GUI for RB extractor
|
|
|
@4430
|
3 years |
vondreele |
some cleanup of fullrmc stuff
|
|
|
@4429
|
3 years |
toby |
not that change yet
|
|
|
@4428
|
3 years |
toby |
minor RB stuff in prep for new add RB code
|
|
|
@4427
|
3 years |
vondreele |
fullrmc fixes
|
|
|
@4426
|
3 years |
vondreele |
fix bug in bond restraint import
|
|
|
@4425
|
3 years |
vondreele |
fix generation of fullrmc pdb file for structures with partial …
|
|
|
@4424
|
3 years |
toby |
fix RB selection with 1 RB
|
|
|
@4423
|
3 years |
vondreele |
fix to RMC stuff
|
|
|
@4422
|
3 years |
vondreele |
more fullrmc stuff
|
|
|
@4421
|
3 years |
toby |
add R.B. extractor; misc doc updates; plt bug after strip Hs; grid …
|
|
|
@4420
|
3 years |
vondreele |
improvements to fullrmc interface
|
|
|
@4419
|
3 years |
toby |
Allow plotting to show selected atoms; reorder some code to put …
|
|
|
@4418
|
3 years |
vondreele |
change macromolecular default drawing from sticks (slow) to van der …
|
|
|
@4417
|
3 years |
vondreele |
further enhancements of the fullrmc - GSAS-II interface; now does atom …
|
|
|
@4416
|
3 years |
vondreele |
fix 3D surface problem when changing mystrain/size axis
remove …
|
|
|
@4415
|
3 years |
vondreele |
change export_PDB to handle fullrmc pdb files
implement Wenqian's mod …
|
|
|
@4414
|
3 years |
toby |
add libgcc to Binaries/mac_64_p3.7_n1.17
|
|
|
@4413
|
3 years |
toby |
add texture docs and fix build problem
|
|
|
@4412
|
3 years |
toby |
update tree item display after delete data tree entry
|
|
|
@4411
|
3 years |
toby |
bug in CIF export; misc cleanup
|
|
|
@4410
|
3 years |
toby |
do much more cleanup after phase delete; refactor some importer …
|
|
|
@4409
|
3 years |
toby |
select bank for scripting simulation
|
|
|
@4408
|
3 years |
toby |
warning for MPL 3.1 & 3.2
|
|
|
@4407
|
3 years |
toby |
pin at MPL 3.0 in gsas2complete for now
|
|
|
@4406
|
3 years |
toby |
don't allow used PWDR or HKLF histograms to be deleted
|
|
|
@4405
|
3 years |
vondreele |
continue fullrmc interface work
fix bad PatternId? problem in Texture GUI
|
|
|
@4404
|
3 years |
vondreele |
revise RMCProfile/fullrmc GUI for data files - better interface & has …
|
|
|
@4403
|
3 years |
toby |
add new incid. beam mono convolutor to FPA; refactor FPA GUI
|
|
|
@4402
|
3 years |
toby |
add scattering factors to CIF; catch overwrite of 1st reflection bug(\!\!)
|
|
|
@4401
|
3 years |
vondreele |
Add texture index & esd to texture results - all 3 different cases. …
|
|
|
@4400
|
3 years |
vondreele |
add rigid body save to make new pdb file with properly named atoms - …
|
|
|
@4399
|
3 years |
toby |
major refactoring & corrections to ISODISTORT mode import and computations
|
|
|
@4398
|
3 years |
vondreele |
fix abc* transform for layers
|
|
|
@4397
|
3 years |
vondreele |
fullrmc interface for run & view done (for now)
|
|
|
@4396
|
3 years |
toby |
improve end-of-life message, add tools to run bash/bat scripts outside …
|
|
|
@4395
|
3 years |
toby |
why old svn package? remove free channel
|
|
|
@4394
|
3 years |
toby |
why old svn package? keep channels but null
|
|
|
@4393
|
3 years |
toby |
why old svn package?
|
|
|
@4392
|
3 years |
toby |
prepare for numpy>=1.18 & matplotlib>=3.1.3
|
|
|
@4391
|
3 years |
toby |
prepare for numpy>=1.18 & matplotlib>=3.1.3
|
|
|
@4390
|
3 years |
toby |
prepare for mac build
|
|
|
@4389
|
3 years |
vondreele |
adding fullrmc View & Execute methods. Still to do Setup.
Replace …
|
|
|
@4388
|
3 years |
vondreele |
Add warning for using type=2 TOF instrument profile function in old …
|
|
|
@4387
|
3 years |
toby |
rename to avoid ambiguity with fullrmc channel
|
|
|
@4386
|
3 years |
toby |
use noarch & prepare for Jenkins builds
|
|
|
@4385
|
3 years |
vondreele |
|
|
|
@4384
|
3 years |
toby |
add skipped files
|
|
|
@4383
|
3 years |
toby |
upload files for conda builds
|
|
|
@4382
|
3 years |
toby |
share fullrmc packaging files
|
|
|
@4381
|
3 years |
toby |
update tutorial listing
|
|
|
@4380
|
4 years |
toby |
avoid missing _reverse_cmap_spec in MPL 3.2
|
|
|
@4379
|
4 years |
toby |
fix isodistort constraint processing
|
|
|
@4378
|
4 years |
vondreele |
begin fullrmc implementation - 1st avoid crash if not installed - give …
|
|
|
@4377
|
4 years |
vondreele |
Add end-of-life warning for python 2.7
small fix for mag str. fctr calc
|
|
|
@4376
|
4 years |
toby |
update bootstrap to use all proxy options
|
|
|
@4375
|
4 years |
vondreele |
try to rationalize plot & data window behavior - put data window on …
|
|
|
@4374
|
4 years |
toby |
use https before http
|
|
|
@4373
|
4 years |
vondreele |
cleanup magnetic sym op display - now allows print of X1,x2,x3,x4 as …
|
|
|
@4372
|
4 years |
toby |
streamline Post access to web pages; try http before https
|
|
|
@4371
|
4 years |
vondreele |
patch to avoid crash on missing Layer Disp in Refine
|
|
|
@4370
|
4 years |
vondreele |
Add new parameter to Data tab - Layer DispSizerThis? is intended to …
|
|
|
@4369
|
4 years |
vondreele |
new menu item in main menu Data/Delete? plots - allows deleting …
|
|
|
@4368
|
4 years |
vondreele |
missed a III --> IV tutorial
|
|
|
@4367
|
4 years |
vondreele |
New tutorial
|
|
|
@4366
|
4 years |
vondreele |
Add plotting of bond distance & bond angle distributions found in …
|
|
|
@4365
|
4 years |
toby |
set keywords & eol on all G2 files
|
|
|
@4364
|
4 years |
toby |
minor docs changes; remove remaining .xor. reference
|
|
|
@4363
|
4 years |
toby |
remove debug line
|
|
|
@4362
|
4 years |
toby |
doc stuff
|
|
|
@4361
|
4 years |
toby |
fix hist CIF export, remove dev. ver of IntPDFtool
|
|
|
@4360
|
4 years |
toby |
change load-gpx dialog to match exit and start new project
|
|
|
@4359
|
4 years |
vondreele |
update tutorial
|
|
|
@4358
|
4 years |
vondreele |
update tutorial
|
|
|
@4357
|
4 years |
vondreele |
|
|
|
@4356
|
4 years |
vondreele |
remove arrowhead for quiver plot in PlotXYZvect - wasn't the right color.
|
|
|
@4355
|
4 years |
vondreele |
Add RMCProfile-III tutorial to list in G2ctrlGUI so it shows up in …
|
|
|
@4354
|
4 years |
vondreele |
New RMCProfile-III tutorial
|
|
|
@4353
|
4 years |
toby |
fix bond distance monitor in sequential fit
|
|
|
@4352
|
4 years |
toby |
expand proxy GUI for more lines
|
|
|
@4351
|
4 years |
vondreele |
Work on Compare results for more than one type of bond polyhedra. Now …
|
|
|
@4350
|
4 years |
toby |
add warning for azimuths with no pixels
|
|
|
@4349
|
4 years |
toby |
fix integration over azimuths with no pixels
|
|
|
@4348
|
4 years |
vondreele |
Detail work on various RMC plots - getting titles & axes labels correct
|
|
|
@4347
|
4 years |
vondreele |
restrict G(R) plots to Rmax - sphere enclosed by big box model in …
|
|
|
@4346
|
4 years |
toby |
implement additional proxy access (documented in …
|
|
|
@4345
|
4 years |
toby |
Add more image settings to preferences; prevent save of config.py …
|
|
|
@4344
|
4 years |
vondreele |
|
|
|
@4343
|
4 years |
toby |
deal with exporters sharing extension in autointegration
|
|
|
@4342
|
4 years |
vondreele |
correct scale factor for xray .bragg file
try 1/w for xray real space …
|
|
|
@4341
|
4 years |
vondreele |
use size & mustrain correctly in making RMCProfile .inst file
|
|
|
@4340
|
4 years |
vondreele |
change http to https for Bilbao web side - works better via eduroam, etc.
|
|
|
@4339
|
4 years |
toby |
set svn flags; improve compare F-test & add info & covariance plot
|
|
|
@4338
|
4 years |
vondreele |
fix bug in integrate when no spot mask default set up.
|
|
|
@4337
|
4 years |
vondreele |
add 'Va' for vacancy to valence table
skip 'Va' atoms in partials …
|
|
|
@4336
|
4 years |
toby |
new docs section
|
|
|
@4335
|
4 years |
toby |
add autoInt routine, add f-test; updates for documentation
|
|
|
@4334
|
4 years |
vondreele |
make new f(q) & g(r) files suitable for RMCProfile. The g(r) == PDF. …
|
|
|