|
|
|
@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 …
|
|
|
|
@2506
|
9 years |
vondreele |
some work on automatic mag constraints
move a dlg.Destroy() in …
|
|
|
|
@2496
|
9 years |
vondreele |
small modification to fix of post Refine crash in ConstrGUI
|
|
|
|
@2495
|
9 years |
vondreele |
some cleanup of Data tab
fix (!) crash after Refine for Costraints & …
|
|
|
|
@2491
|
9 years |
vondreele |
fix bug for call to GetPhaseData? in export phase
put in stub for …
|
|
|
|
@2489
|
9 years |
vondreele |
also for D11, etc. allow all others to be used in equivalence
|
|
|
|
@2488
|
9 years |
vondreele |
Allow equivalence constraints between A0-A5 on one phase and any of …
|
|
|
|
@2482
|
9 years |
vondreele |
allow atom constraints between phases
|
|
|
|
@2481
|
9 years |
vondreele |
force Transform to delete nonmagnetic atoms if phase made magnetic & …
|
|
|
|
@2480
|
9 years |
vondreele |
add make magnetic phase to General/Transform? option
trap missing rigid …
|
|
|
|
@2473
|
9 years |
vondreele |
work on magnetic structures - import from EXP, plotting, LS refine …
|
|
|
|
@2434
|
9 years |
toby |
Fix constraint edit bug in wx3.0; relabel constraint menu items to …
|
|
|
|
@2431
|
9 years |
vondreele |
fix problem with wxPython 3.x with changing text entry focus. Needed a …
|
|
|
|
@2085
|
10 years |
vondreele |
allow constraints between Tmin & Tmax (ZigZag/Block? parms)
|
|
|
|
@2062
|
10 years |
vondreele |
exclude non variable SS parms from constraint lists
define ZigZag? & …
|
|
|
|
@1943
|
10 years |
vondreele |
remove H-atom riding constraint editing; unusable at present
|
|
|
|
@1925
|
10 years |
vondreele |
create AddHatomDialog? & work on OnHydAtomAdd?
allow reading of .cor …
|
|
|
|
@1924
|
10 years |
vondreele |
work on H-atom riding constraints
extend "short" phase names to full …
|
|
|
|
@1915
|
10 years |
vondreele |
start on riding constraints - works for atom frac,x,y,z; skipping u's …
|
|
|
|
@1898
|
10 years |
vondreele |
new constraint option - constrain atom variables as a set; constrain …
|
|
|
|
@1831
|
10 years |
toby |
move remaining generic controls to G2ctrls
|
|
|
|
@1827
|
10 years |
toby |
fix scrollbar problems in many places; phase data in particular
|
|
|
|
@1770
|
10 years |
vondreele |
moved MultipleChoicesDialog? and SingleChoiceDialog? from G2grid to G2ctrls
|
|
|
|
@1657
|
10 years |
toby |
migrate help from G2grid; set instparms in Powder imports; seach for …
|
|
|
|
@1625
|
10 years |
vondreele |
add a parameter to result from G2stIO.GetPhaseData?
add modulation …
|
|
|
|
@1619
|
10 years |
toby |
add columnsorter for hetrogeneous seq ref; reorg to start moving …
|
|
|
|
@1545
|
11 years |
toby |
fix tab selection (again); clean up some menus
|
|
|
|
@1542
|
11 years |
vondreele |
put in missing Rigid body binds
|
|
|
|
@1512
|
11 years |
toby |
implement logging and config storage
|
|
|
|
@1417
|
11 years |
vondreele |
missed a couple of lines
|
|
|
|
@1416
|
11 years |
vondreele |
fix wx c++ error in Constraints after a Refine
|
|
|
|
@1411
|
11 years |
vondreele |
remove unused reference to z-matrix RBs
noted in comment about …
|
|
|
|
@1390
|
11 years |
toby |
revise start, sort out phase fraction vs scale factor label, add …
|
|
|
|
@1378
|
11 years |
toby |
wxPython 2.9 fixes: FlexGridSizer?, wx.Colour, MacOpenFile?; move bind …
|
|
|
|
@1359
|
11 years |
vondreele |
start allowing reading of multiple HKLF files.
put an IndexAllIds? into …
|
|
|
|
@1247
|
11 years |
toby |
allow wildcarded-histogram constraint input; implement for seq refinements
|
|
|
|
@1214
|
11 years |
toby |
fix use of RB vars in G2VarObj, etc.; Add select tab to restraints
|
|
|
|
@1209
|
11 years |
toby |
line up columns in parameter selection boxes; add a filter for …
|
|
|
|
@1160
|
12 years |
toby |
finish ISODISPLACE fixes; improve show var window; improve help …
|
|
|
|
@1147
|
12 years |
toby |
Complete initial ISODISPLACE implementation; mod. phase …
|
|
|
|
@1141
|
12 years |
toby |
minor tweaks: move indexing of Ids to histogram load, remove Type from …
|
|
|
|
@1138
|
12 years |
toby |
major constraints revision
|
|
|
|
@1077
|
12 years |
toby |
cleanup plot & svn bugs; set missing keywords; CIF export done; update docs
|
|
|
|
@1050
|
12 years |
vondreele |
Add error dialog for needing LS run once before setting constraints.
|
|
|
|
@961
|
12 years |
vondreele |
fix rb constraints - useCount
fix Uij2Ueqv
mods to anneal algorithms …
|
|
|
|
@934
|
12 years |
vondreele |
changes for MC/SA
|
|
|
|
@929
|
12 years |
vondreele |
one more G2str fix
|
|
|
|
@927
|
12 years |
vondreele |
more G2str fixes
|
|
|
|
@923
|
12 years |
toby |
more doc updates
|
|
|
|
@906
|
12 years |
toby |
switch to aui.notebook for data display window; work on phase data …
|
|
|
|
@904
|
12 years |
toby |
fix line endings
|
|
|
|
@889
|
12 years |
vondreele |
add torsion angle derivatives in RB
small fixes to other RB stuff
|
|
|
|
@885
|
12 years |
vondreele |
add 'Global' to constraints
remove a stray debug print
fix U6toUij so …
|
|
|
|
@883
|
12 years |
vondreele |
begin RB refinement mods & fixed so non-RB refinements still work
|
|
|
|
@881
|
12 years |
vondreele |
more RB editing & fixes
'+0' & '-0' (vice versa) removed from any cif …
|
|
|
|
@879
|
12 years |
vondreele |
complete rb input to refinement
|
|
|
|
@860
|
12 years |
vondreele |
more fixes to rigid body stuff
|
|
|
|
@859
|
12 years |
vondreele |
still more rigid body fixes
add thermal motion models
allow copy of RB …
|
|
|
|
@855
|
12 years |
vondreele |
RB input mostly finished; now has thermal motion models
|
|
|
|
@854
|
12 years |
vondreele |
more rigid body stuff
|
|
|
|
@852
|
12 years |
vondreele |
rigid body changes
|
|
|
|
@851
|
12 years |
vondreele |
more rigid body stuff, plotting, RB placement, import of more types of …
|
|
|
|
@850
|
12 years |
vondreele |
fix problem with atoms with An+ style of valence
more places for size …
|
|
|
|
@849
|
12 years |
vondreele |
more work on rigid bodies - now put into crystal structures,
atom edit …
|
|
|
|
@848
|
12 years |
vondreele |
move all class stuff in GSAIIphsGUI to GSASIIgrid.py
move all DData …
|
|
|
|
@842
|
12 years |
vondreele |
single crystal extinction refinement complete & tested some
seems to …
|
|
|
|
@840
|
12 years |
vondreele |
define torsion sequences in RBs
show/hide bonds between map peaks with …
|
|
|
|
@837
|
12 years |
vondreele |
more on rigid bodies - imput of text file of coordinates
work on HKL …
|
|
|
|
