|
|
@4492
|
3 years |
vondreele |
cleanup here & there
|
|
|
@4491
|
3 years |
toby |
Add VoidMap?; change min/max in ValidatedTextCtrl? to xmin/xmax; new …
|
|
|
@4490
|
3 years |
vondreele |
replace all single value TextCtrl? with ValidatedTextCtrl?; remove thus …
|
|
|
@4489
|
3 years |
vondreele |
further fixup of incommensurate mag moment drawings. Now correct.
|
|
|
@4488
|
3 years |
vondreele |
another try at incommensurate magnetic SF; fix bug in plotting mag moments.
|
|
|
@4487
|
3 years |
toby |
abort on Complete Molecule optional; bypass decode error
|
|
|
@4486
|
3 years |
vondreele |
fix status bar atom label problem when picking atoms from drawing
|
|
|
@4485
|
3 years |
vondreele |
fix plotting of BNS centered modulated magnetic moment plotting
|
|
|
@4484
|
3 years |
vondreele |
fix setting RB thermal to 'None'
replace call to …
|
|
|
@4483
|
3 years |
vondreele |
fix to MagMod? /2 error
fix bug in HKLF reflection list
|
|
|
@4482
|
3 years |
toby |
2nd mpl.cm.ScalarMappable?() fix
|
|
|
@4481
|
3 years |
vondreele |
Fix appearance of FileDialog? in GetImportFile? - CenterOnParent?() …
|
|
|
@4480
|
3 years |
toby |
fix colormap problem w/3.0.x
|
|
|
@4479
|
3 years |
toby |
changes to unique map peaks & plotting after selection
|
|
|
@4478
|
3 years |
toby |
update new version of g2conda: 3.7+, mpl 3.0 only
|
|
|
@4477
|
3 years |
toby |
update new version of g2conda: 3.7+, mpl 3.0 or 3.3; sync up …
|
|
|
@4476
|
3 years |
vondreele |
make sure if Uij = None that it is zero, type is 'I' and that after a …
|
|
|
@4475
|
3 years |
vondreele |
fix prolem in cif files where anisotropic params are as ...... --> …
|
|
|
@4474
|
3 years |
vondreele |
fix minor cif problem - order of "source" and "neutron"
|
|
|
@4473
|
3 years |
toby |
allow adding of rigid body atoms to atoms list
|
|
|
@4472
|
3 years |
toby |
remove hardcoded libgcc_s.1.dylib from Mac binaries
|
|
|
@4471
|
3 years |
vondreele |
restore FillCoordSphere? from G2 version #4379
|
|
|
@4470
|
3 years |
vondreele |
Add option to fade by 50% symmetry equivalent atoms, bonds, etc. in …
|
|
|
@4469
|
3 years |
toby |
fix for TOF simulation scripting; improve peak selection status line …
|
|
|
@4468
|
3 years |
toby |
add status msg on Shift-Click atom selection; error message with RB …
|
|
|
@4467
|
3 years |
vondreele |
fix map peak selection
|
|
|
@4466
|
3 years |
vondreele |
change Pawley refinement menu items for setting/unsetting refine flags …
|
|
|
@4465
|
3 years |
vondreele |
fix atom selection from figure for Atoms - now it the same as for Draw …
|
|
|
@4464
|
3 years |
vondreele |
reinstate the old FindCoordination? as FindCoordination2 - was used in …
|
|
|
@4463
|
3 years |
toby |
Redisplay structure after a shift-click to select an atom; update plot …
|
|
|
@4462
|
3 years |
vondreele |
fix bug for not installed RMCProfile
|
|
|
@4461
|
3 years |
vondreele |
fix bugs in MakeRMC6f & MakefullrmcPDB
|
|
|
@4460
|
3 years |
vondreele |
correct plots for RMCProfile & fullrmc S(Q) & G(R) plots.
|
|
|
@4459
|
3 years |
vondreele |
Add missing pictures to Magnetic-V tutorial
|
|
|
@4458
|
3 years |
vondreele |
add missing pictures for TOF single crystal refinement tutorial
|
|
|
@4457
|
3 years |
toby |
add data link to tutorials
|
|
|
@4456
|
3 years |
vondreele |
fix bug in SytSym?
|
|
|
@4455
|
3 years |
toby |
fix and speed up the "Complete Molecule" command; w/o for mult calc bug
|
|
|
@4454
|
3 years |
vondreele |
allow selection by atom name (same as by type)
|
|
|
@4453
|
3 years |
vondreele |
cleanup fixes to G2pshGUI
|
|
|
@4452
|
3 years |
toby |
test data link
|
|
|
@4451
|
3 years |
vondreele |
Add Histogram distances & angles to Phase/Atom/Compute? menu
fix …
|
|
|
@4450
|
3 years |
vondreele |
Add Histogram bonds & angles to Atoms/Compute? menu - makes histogram …
|
|
|
@4449
|
3 years |
vondreele |
fix atom pick routine in structure drawing
|
|
|
@4448
|
3 years |
toby |
add complete molecule (slow) & fix use of radii
|
|
|
@4447
|
3 years |
vondreele |
change RMCProfie chi2 to log10 chi2 to match fulrmc chi2 plot
fix …
|
|
|
@4446
|
3 years |
toby |
final fixes of bootstrap
|
|
|
@4445
|
3 years |
toby |
more tests of packaging
|
|
|
@4444
|
3 years |
toby |
test breaking packaging?\!
|
|
|
@4443
|
3 years |
toby |
try more to fix packaging bug
|
|
|
@4442
|
3 years |
toby |
better atom selection; try to fix packaging bug
|
|
|
@4441
|
3 years |
vondreele |
cleanup of GenAtom?
fix Dist Angle calcs for an imported phase with no …
|
|
|
@4440
|
3 years |
vondreele |
fix atom draw update problem when atoms not in unit cell2Arelated …
|
|
|
@4439
|
3 years |
toby |
bootstrap w/selected binary; update svn switch cmd; save build output
|
|
|
@4438
|
3 years |
svnjenkins |
Build with Build_Mac_py3.7 on mac mac-1
|
|
|
@4437
|
3 years |
toby |
add fix for paths in libraries
|
|
|
@4436
|
3 years |
toby |
add fix for paths in libraries
|
|
|
@4435
|
3 years |
vondreele |
fix MakeRMC6f for fractional atom fracs
|
|
|
@4434
|
3 years |
vondreele |
Change Force=True for anisotropic atms in call to GenAtom? in …
|
|
|
@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?
|
|
|