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|
@2809
|
8 years |
vondreele |
add new transform option for moving atoms from setting #1 --> #2
|
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|
@2753
|
8 years |
vondreele |
minor shuffling about for atom constraints - no discernable impact …
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|
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@2567
|
8 years |
vondreele |
fix to export CIF sym. op. problem
use ValidatedTxtctrl? for all values …
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|
@2549
|
9 years |
vondreele |
fix special position restrictions on Mx,MY,Mz on -1 site.
|
|
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|
@2546
|
9 years |
vondreele |
cleanup of all GSASII main routines - remove unused variables, dead …
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|
|
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@2544
|
9 years |
vondreele |
major cleanup of unused variables, etc.
|
|
|
|
@2492
|
9 years |
vondreele |
fix handling of Lande g factor
fix Mag structure factor calcs - now OK …
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|
|
|
@2486
|
9 years |
vondreele |
fix mag form factor lookup - some aren't chemical valences (e.g. Fe+4) …
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|
|
|
@2483
|
9 years |
vondreele |
fix site symmetry issues for magnetic moments on special positions
|
|
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|
@2473
|
9 years |
vondreele |
work on magnetic structures - import from EXP, plotting, LS refine …
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|
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|
@2470
|
9 years |
vondreele |
magnetic structure editing/drawing work - includes site symm restrictions
|
|
|
|
@2468
|
9 years |
vondreele |
add dzero calc from compression 2D images
plot magnetic structures; …
|
|
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|
@2467
|
9 years |
vondreele |
modify 2D strain Dcalc to be dmin+(dmax-dmin)/4. per Yan Gao
begin …
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|
@2466
|
9 years |
vondreele |
implement user entered starting Marquardt lambda value (order of …
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|
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@2464
|
9 years |
vondreele |
magnetic space group work - spin flip display
|
|
|
|
@2461
|
9 years |
vondreele |
magnetic space group determination done
|
|
|
|
@2458
|
9 years |
vondreele |
Mag space group work
|
|
|
|
@2406
|
9 years |
vondreele |
change spin flip from red/black to -1/1
|
|
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|
@2402
|
9 years |
vondreele |
a patch for use of old fortran binaries
|
|
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|
@2401
|
9 years |
vondreele |
begin adding magnetism; change space group fortran code
modify …
|
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|
@2367
|
9 years |
vondreele |
add display of inverse pole figure for each histogram - works but are …
|
|
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|
@2289
|
9 years |
vondreele |
fixed interpretation of space group symbols with :1/2 at end …
|
|
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|
@2158
|
9 years |
vondreele |
Add C1 to Bravais lattice tables - future use
some replacement of …
|
|
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|
@2136
|
9 years |
vondreele |
fix indexing problem in 32 bit versions - Skip in ProgressDialog? …
|
|
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|
@2075
|
10 years |
vondreele |
explicit plot destroy when GSAS2 closes
work on scrolling on phase …
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|
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|
@2062
|
10 years |
vondreele |
exclude non variable SS parms from constraint lists
define ZigZag? & …
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|
|
|
@2061
|
10 years |
vondreele |
modify export app peak lists to include d-spacing as a column
fix 2x …
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|
|
|
@2025
|
10 years |
vondreele |
|
|
|
|
@1975
|
10 years |
toby |
Address unit test problem with MoveToUnitCell?
|
|
|
|
@1958
|
10 years |
vondreele |
add r-values by SS index
add a fade for frac modulation of atoms in …
|
|
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|
@1957
|
10 years |
vondreele |
work on SS structure factors
some refactoring of SS special pos code …
|
|
|
|
@1956
|
10 years |
vondreele |
fix (again) fill unit cell, dynamic SS drawing & GenAtom? issues - now …
|
|
|
|
@1955
|
10 years |
vondreele |
Add error message for TOF calibration if peak positions weren't fitted …
|
|
|
|
@1954
|
10 years |
vondreele |
add print line whwn lambda is changed in Levenberg-Marquardt …
|
|
|
|
@1953
|
10 years |
vondreele |
code simplification in FillUnitCell? & MoveToUnitCell?
fix error in GenAtom?
|
|
|
|
@1951
|
10 years |
vondreele |
implement drawing of incommensurate structures - live variation wrt …
|
|
|
|
@1950
|
10 years |
vondreele |
more work on SS special pos.
|
|
|
|
@1948
|
10 years |
vondreele |
modify SS special position code
|
|
|
|
@1917
|
10 years |
vondreele |
better handling of nonmerohedral twins
|
|
|
|
@1873
|
10 years |
vondreele |
add remaining ortho super space group symbols & check all - all done!
|
|
|
|
@1832
|
10 years |
toby |
bug fix in unused grid code; doc fixes and cleanup
|
|
|
|
@1747
|
10 years |
vondreele |
a few more SS site symmetries
|
|
|
|
@1715
|
10 years |
vondreele |
make plot styles global instead of individual; now qplot, dplot work …
|
|
|
|
@1709
|
10 years |
toby |
change sphinx docs links; rebuild & fixing minor formatting
|
|
|
|
@1699
|
10 years |
vondreele |
rework the DData window - now shows only one histogram at a time. …
|
|
|
|
@1695
|
10 years |
vondreele |
4/m ss site symmetries seem now all ok
|
|
|
|
@1692
|
10 years |
vondreele |
further work on SS special position parameter restrictions - …
|
|
|
|
@1658
|
10 years |
vondreele |
correct bugs in single crystal cif output - now good for TOF data …
|
|
|
|
@1643
|
10 years |
vondreele |
fix input of TOF hkl data
fix bond angle calculations
fix 2D & 3D hkl …
|
|
|
|
@1638
|
10 years |
vondreele |
remove status bar from restraint pages. Wasn't used & failed for …
|
|
|
|
@1637
|
10 years |
vondreele |
fixes to peak indexing routines; new Inst argument for getHKLpeak …
|
|
|
|
@1636
|
10 years |
vondreele |
modulation constraints for mono & ortho are now OK.
|
|
|
|
@1635
|
10 years |
vondreele |
modulation functions & constraints
|
|
|
|
@1630
|
10 years |
vondreele |
add export routine for tables of x,y0,y1,y2,... for multiple powder …
|
|
|
|
@1625
|
10 years |
vondreele |
add a parameter to result from G2stIO.GetPhaseData?
add modulation …
|
|
|
|
@1615
|
10 years |
vondreele |
more work on incommensurate wave input to LS
fix FillAtomLookup? …
|
|
|
|
@1613
|
10 years |
vondreele |
missing menu items in PDF controls
trap PDF plotting if no PDF to plot …
|
|
|
|
@1612
|
10 years |
vondreele |
Set up SS atom defaults
fix "config" error
|
|
|
|
@1611
|
10 years |
vondreele |
revision to GSASII.BAT - new citation for small angle
allow super …
|
|
|
|
@1606
|
10 years |
vondreele |
more FillAtomLookUp? errors
a few more orthorhombic SS symbols
some …
|
|
|
|
@1602
|
10 years |
vondreele |
fix SaveIntegration? - wrong default for Index Peaks List
add some more …
|
|
|
|
@1598
|
10 years |
vondreele |
insure super lattice reflection set is unique reflections only
fix …
|
|
|
|
@1587
|
11 years |
vondreele |
use successive approx. to get d from TOF
allow sorting on …
|
|
|
|
@1578
|
11 years |
vondreele |
add wx.Yield in RefineBox?
refactor indexing for normal & superlattice …
|
|
|
|
@1572
|
11 years |
vondreele |
complete SS indexing, apply hklm extinction rules
cleanup indexing, …
|
|
|
|
@1571
|
11 years |
vondreele |
fix typos in small angle tutorials
add menu with copy & reset to …
|
|
|
|
@1570
|
11 years |
vondreele |
fix to G2strIO for space group output.
finish interpretation of super …
|
|
|
|
@1569
|
11 years |
vondreele |
Make 222, mm2, m2m & 2mm SS work. Fill some SS choices
|
|
|
|
@1568
|
11 years |
vondreele |
revise super space group to reflect latest table of unique SS groups …
|
|
|
|
@1567
|
11 years |
vondreele |
fixups of some tetragonals & hexagonals - now confirmed by B. …
|
|
|
|
@1565
|
11 years |
vondreele |
super symmetry stuff - all complete except orthorhombic
|
|
|
|
@1564
|
11 years |
vondreele |
fix display of space group stuff
mode work on super symmetry
|
|
|
|
@1561
|
11 years |
vondreele |
avoid error on startup with no file name
fix derivative errors for …
|
|
|
|
@1559
|
11 years |
vondreele |
use deepcopy for various copy operations in G2ddataGUI
use …
|
|
|
|
@1548
|
11 years |
vondreele |
more super structure stuff - now some in unit cell indexing
now using …
|
|
|
|
@1547
|
11 years |
vondreele |
change "Crystal size" to "Domain size"
use lookups for allowed super …
|
|
|
|
@1546
|
11 years |
vondreele |
super symm for trigonal/rhom done
|
|
|
|
@1539
|
11 years |
vondreele |
fix GOF & more supercell stuff
|
|
|
|
@1534
|
11 years |
toby |
fix unit tests
|
|
|
|
@1533
|
11 years |
vondreele |
further on supersymmetry; monoclinics done, hexagonals (not 6/mmm) …
|
|
|
|
@1531
|
11 years |
vondreele |
fix getVCOV; nonexistant parms return zero.
fix space group output in …
|
|
|
|
@1530
|
11 years |
vondreele |
supersymmetry modifications & revise space group display/print to give …
|
|
|
|
@1529
|
11 years |
vondreele |
revise display of space group info so that operators are in lined up …
|
|
|
|
@1515
|
11 years |
vondreele |
allow '#' comments in GSAS iparm files.
add class G2ColumnIDDialog for …
|
|
|
|
@1489
|
11 years |
vondreele |
correct Uij to U6 conversions Uij = Uk/2 for i != j; k > 2 in …
|
|
|
|
@1480
|
11 years |
vondreele |
reset mustrain now gives correct SHKL coefficients for a 1000 mustrain …
|
|
|
|
@1471
|
11 years |
vondreele |
fix the Move=True stuff in G2spc.GenAtom? & force molecule centers to …
|
|
|
|
@1169
|
11 years |
vondreele |
fix space group ops. cif output
|
|
|
|
@973
|
12 years |
vondreele |
|
|
|
|
@963
|
12 years |
toby |
more CIF work, more docs
|
|
|
|
@956
|
12 years |
toby |
snapshot of CIF dev
|
|
|
|
@946
|
12 years |
toby |
update self-docs, start work on constraints object
|
|
|
|
@941
|
12 years |
toby |
fix Matts mac bug on switching phase tabs; start doc of phase …
|
|
|
|
@939
|
12 years |
toby |
fix & cleanup unit tests; add/change doc strings for sphinx; add all …
|
|
|
|
@808
|
13 years |
vondreele |
Add Babinet modification to form factors - works OK
Use atom Ids for …
|
|
|
|
@762
|
13 years |
toby |
update py files to use native line ends, add update from svn to help …
|
|
|
|
@760
|
13 years |
toby |
try to deal with unrecognized space group symbols
|
|
|
|
@740
|
13 years |
vondreele |
bug fixes
|
|
|
|
@736
|
13 years |
vondreele |
add space group choice to cell indexing page
|
|
|
|
@661
|
13 years |
toby |
complete revision number tracking
|
|
|
|
