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@4615
|
5 years |
toby |
Add DrawAtoms_default config option to set default drawing type; add …
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@4609
|
5 years |
vondreele |
name the Vector RB atoms. Don't appear in RB table but do show when …
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@4608
|
5 years |
vondreele |
split VectorRB listings up into separate views for each RB in both …
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@4606
|
5 years |
vondreele |
revise Orientation reference help text for Vector & Residue RBs
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@4605
|
5 years |
toby |
fix AddRB with no matchTable
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|
@4604
|
5 years |
toby |
add help to Orientation reference controls; improve helpbutton formatting
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|
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@4603
|
5 years |
vondreele |
change CheckBox? to Button for use RB center
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|
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@4602
|
5 years |
vondreele |
add molecular (RB) center option
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@4594
|
5 years |
vondreele |
remove WACV,wx.ALIGN_CENTER_VERTICAL from all Add for wx.VERTICAL …
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@4584
|
5 years |
toby |
prevent duplicate names for rigid bodies; make sure vector RB has 3+ …
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@4577
|
5 years |
vondreele |
A much better fix to the C++ bug. Happens in Windows when gpx file …
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@4576
|
5 years |
vondreele |
fix C++ crash in GSASIIconstrGUI.py - 2 OnPageChanged? routines cor …
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@4573
|
5 years |
toby |
RB extensions and minor bug fixes
|
|
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|
@4505
|
5 years |
toby |
more fixes to Res RB edit; tweak RB atom assignment displays
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|
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|
@4503
|
5 years |
toby |
fix problems wit multiple instances of a single RB and with adding …
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@4492
|
5 years |
vondreele |
cleanup here & there
|
|
|
|
@4455
|
5 years |
toby |
fix and speed up the "Complete Molecule" command; w/o for mult calc bug
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|
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|
@4431
|
5 years |
toby |
new code for locating RBs; redo GUI for RB extractor
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@4421
|
5 years |
toby |
add R.B. extractor; misc doc updates; plt bug after strip Hs; grid …
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@4400
|
5 years |
vondreele |
add rigid body save to make new pdb file with properly named atoms - …
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|
@4399
|
5 years |
toby |
major refactoring & corrections to ISODISTORT mode import and computations
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|
|
|
@4379
|
5 years |
toby |
fix isodistort constraint processing
|
|
|
|
@4270
|
5 years |
vondreele |
set default directories to G2frame.LastGPXdir or result from …
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|
|
|
@4041
|
6 years |
vondreele |
fix issues with rigid body GUI controls - mostly proper assignment of rbId
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|
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|
@4020
|
6 years |
vondreele |
comment out sell constraint build for transform & mag structures - …
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@3948
|
6 years |
vondreele |
a better way to fix scroll bar issue in Residue RB display
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@3947
|
6 years |
vondreele |
fix to Residue RB scroll issue with residue selection; had to resize …
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|
|
|
@3944
|
6 years |
toby |
fix for vector rigid body display
|
|
|
|
@3943
|
6 years |
vondreele |
fix scroll bars in Residue rigid body display
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|
|
|
@3905
|
6 years |
vondreele |
fix to atom constraints from structure transform
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|
|
|
@3904
|
6 years |
vondreele |
fix lattice parm constraint bug
|
|
|
|
@3835
|
6 years |
vondreele |
Allow constraints on modulation vector
changes to incommensurate mag. …
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|
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|
@3829
|
6 years |
vondreele |
fix problem with selecting torsions in residue rigid bodies
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|
|
|
@3791
|
6 years |
toby |
cleanup constraint display more
|
|
|
|
@3790
|
6 years |
toby |
make sure off-diagonal terms that must compute as 0 are fixed
|
|
|
|
@3789
|
6 years |
toby |
fix transpose error for lattice constraints
|
|
|
|
@3788
|
6 years |
toby |
generate cell parm constraints for magnetic cells; fix errors in …
|
|
|
|
@3785
|
6 years |
toby |
generate lattice constraints for mag. xform
|
|
|
|
@3784
|
6 years |
toby |
generate lattice constraints for mag. xform
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|
|
|
@3760
|
6 years |
vondreele |
remove AwaveType?,PwaveType?,FwaveType? & MwaveType? from constraints …
|
|
|
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@3735
|
7 years |
vondreele |
oops got monoclinic A3 & A5 switched!
|
|
|
|
@3734
|
7 years |
vondreele |
fix to SetUniqAj? - inside TransConstraints?
|
|
|
|
@3721
|
7 years |
vondreele |
put in (now commented out) new code for making lattice constraints for …
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|
|
|
@3717
|
7 years |
vondreele |
comment all lines for making lattice constraint
|
|
|
|
@3716
|
7 years |
vondreele |
implement new version of SUBGROUPS & k-SUBGROUPDMAG that return …
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|
|
@3711
|
7 years |
toby |
major constraint update: move conflicting equivs to constraints; allow …
|
|
|
|
@3703
|
7 years |
vondreele |
refactoring of GetSSfxuinel
|
|
|
|
@3699
|
7 years |
vondreele |
make check for duplicate constraints (via strings) in TransConstraints? …
|
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@3693
|
7 years |
vondreele |
magAtoms --> magAtms spelling error n RefreshMagCellsGrid?
allow …
|
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@3691
|
7 years |
vondreele |
fix constraints on transformed lattice parameters to preserve higher …
|
|
|
|
@3649
|
7 years |
toby |
Change display of equivalences
|
|
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|
@3647
|
7 years |
toby |
do removal of vars when window is created
|
|
|
|
@3618
|
7 years |
vondreele |
comment out creation of Uij constraints for new mag phases - not …
|
|
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@3617
|
7 years |
vondreele |
fix mag space group counts
fix k-SUBGROUPSMAG k-vec input
fix lattice …
|
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|
@3601
|
7 years |
vondreele |
fix a weird wx4.0 C++ error in G2constrGUI (line 2212)
|
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|
@3599
|
7 years |
toby |
remove vars from constraints (see G2obj.removeNonRefined); new tutorial
|
|
|
|
@3588
|
7 years |
vondreele |
fix old style wx.CHANGE_DIR to wx.DR_CHANGE_DIR in several places.
fix …
|
|
|
|
@3577
|
7 years |
vondreele |
delete MAXMAGN - not using it any more
fix (maybe) mag constraints; …
|
|
|
|
@3567
|
7 years |
vondreele |
fix wx.wx bug in G2constrGUI
better formatting of Platform: line on …
|
|
|
|
@3510
|
7 years |
svnjenkins |
CheckScalePhaseFractions?: use only on PWDR hists
|
|
|
|
@3507
|
7 years |
svnjenkins |
bug fixes: checking phase frac constraint, when histograms not in a …
|
|
|
|
@3470
|
7 years |
vondreele |
add a comeent/question for OnConstDel? (no effect on processing) …
|
|
|
|
@3468
|
7 years |
vondreele |
define new function FindAllCons? to replace bits of identical code that …
|
|
|
|
@3467
|
7 years |
vondreele |
fix problem in constraints where a deleted constraint variable wasn't …
|
|
|
|
@3462
|
7 years |
toby |
move check of fractions/scale to OnRefine? and OnView?
|
|
|
|
@3456
|
7 years |
vondreele |
change delete constraint code
|
|
|
|
@3438
|
7 years |
vondreele |
g2strIO
fix magnetic hkl extinctions in reflection generation
remove …
|
|
|
|
@3413
|
7 years |
vondreele |
modify RefineCore? & Refine/SeqRefine? to use ifSeq parameter instead of …
|
|
|
|
@3411
|
7 years |
vondreele |
another transform constrint fix to atom nos.
|
|
|
|
@3410
|
7 years |
vondreele |
bad Uij names fixed in Transform constraints
|
|
|
|
@3409
|
7 years |
vondreele |
another fix to transformation constraints to skip equivalent …
|
|
|
|
@3406
|
7 years |
vondreele |
fix Transform to create correct(?) constraints between lattices, atom …
|
|
|
|
@3397
|
7 years |
vondreele |
fix Constraints problem when no histograms (or phases)
display new BNS …
|
|
|
|
@3396
|
7 years |
vondreele |
set refList=False for a couple of calls to GetHistogramPhaseData? where …
|
|
|
|
@3373
|
7 years |
toby |
make sequential refinement setting work like a global flag; add …
|
|
|
|
@3371
|
7 years |
toby |
constraint fixes: implement wild-card equivalences, fix use of all for …
|
|
|
|
@3356
|
7 years |
vondreele |
remove commented out SetTitle? & SetLabel? for data window from various …
|
|
|
|
@3355
|
7 years |
toby |
name main & plot window against project name, remove other SetTitle? calls
|
|
|
|
@3328
|
7 years |
vondreele |
reformat residue RB display to show residues one at a time
|
|
|
|
@3325
|
7 years |
vondreele |
add importer for Bruker image FORMAT 100 files
fix AAprobability plots …
|
|
|
|
@3317
|
7 years |
vondreele |
magnetic site symmetry restrictions on moments & magnetic site …
|
|
|
|
@3302
|
7 years |
vondreele |
mag sym fixes
|
|
|
|
@3239
|
7 years |
vondreele |
implement use of 2-site disordered amino acid residues in proteins: …
|
|
|
|
@3136
|
8 years |
vondreele |
make GSAS-II python 3.6 compliant & preserve python 2.7 use;changes: …
|
|
|
|
@3079
|
8 years |
vondreele |
implement rigid body reference vectors
|
|
|
|
@3065
|
8 years |
toby |
fix error introduced by variable sorting
|
|
|
|
@3061
|
8 years |
toby |
sort variable names
|
|
|
|
@3057
|
8 years |
toby |
more work on constraints: prevent use of perviously constrained …
|
|
|
|
@3056
|
8 years |
toby |
expand error reporting with constraints (no fixes yet to prevent them)
|
|
|
|
@3054
|
8 years |
vondreele |
fixes to MCSA gui routines; trap <3 atom RBs
fix missing AtLookup? …
|
|
|
|
@3000
|
8 years |
toby |
make the two frame version the trunk as we hit version 3000
|
|
|
|
@2753
|
8 years |
vondreele |
minor shuffling about for atom constraints - no discernable impact …
|
|
|
|
@2707
|
8 years |
vondreele |
some code layout changes
rework ShowLSParms to allow selection for display
|
|
|
|
@2691
|
8 years |
vondreele |
fix Transform - cell constraints were wrong
needed to clear …
|
|
|
|
@2583
|
8 years |
vondreele |
put default 'Plane' into drawing Data from old gpx files
fix frame …
|
|
|
|
@2551
|
9 years |
vondreele |
clean up G2imageGUI
Add start on autoSpot mask - not complete
some …
|
|
|
|
@2546
|
9 years |
vondreele |
cleanup of all GSASII main routines - remove unused variables, dead …
|
|
|
|
@2544
|
9 years |
vondreele |
major cleanup of unused variables, etc.
|
|
|
|
@2520
|
9 years |
vondreele |
remove unused & commented Srr fctr & deriv routines
Mag moment …
|
|
|
|
@2512
|
9 years |
vondreele |
remove 'constraint' and 'restraint' from Consraints & Restraints tabs …
|
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|
