|
|
|
@1932
|
10 years |
vondreele |
fix problems with plotting & phase handling when there is no structure …
|
|
|
|
@1931
|
10 years |
vondreele |
Autoupdate of atom drawing table and drawing after LS refinement and …
|
|
|
|
@1930
|
10 years |
vondreele |
allow exclude atoms from H-atom position calcs.
hydrogen add …
|
|
|
|
@1929
|
10 years |
vondreele |
fix sign error in getRho 8-pt interpolation
|
|
|
|
@1928
|
10 years |
vondreele |
fix error in Fourier calc.
new getRho routine
new add OH hydrogens …
|
|
|
|
@1927
|
10 years |
vondreele |
more hydrogen add work
|
|
|
|
@1926
|
10 years |
vondreele |
Work on add Hydrogens
|
|
|
|
@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 …
|
|
|
|
@1923
|
10 years |
vondreele |
further twin work
|
|
|
|
@1922
|
10 years |
vondreele |
fix 1 atom powder bug
implement merohedral twins of nonmerohedral twin …
|
|
|
|
@1921
|
10 years |
vondreele |
twin derivatives now OK.
|
|
|
|
@1920
|
10 years |
vondreele |
modify the pack-f.for code to read rectangular MAR images (NX != NY …
|
|
|
|
@1919
|
10 years |
vondreele |
Twin derivatives
|
|
|
|
@1918
|
10 years |
vondreele |
further mods on twins
|
|
|
|
@1917
|
10 years |
vondreele |
better handling of nonmerohedral twins
|
|
|
|
@1916
|
10 years |
vondreele |
now read mar2560 image files
|
|
|
|
@1915
|
10 years |
vondreele |
start on riding constraints - works for atom frac,x,y,z; skipping u's …
|
|
|
|
@1914
|
10 years |
vondreele |
now process non merohedral twins - still some problems
|
|
|
|
@1913
|
10 years |
vondreele |
fix sfact importers so twin id=1 by default
GUI details for twins fixed
|
|
|
|
@1912
|
10 years |
vondreele |
more twin stuff - nonmerohedral mods
refl[3] now twin id not mul.
|
|
|
|
@1911
|
10 years |
toby |
add new tutorial & cleanup
|
|
|
|
@1910
|
10 years |
vondreele |
fix reading run-on numbers in Shelx HKLF 4 files
implement all I/O for …
|
|
|
|
@1909
|
10 years |
vondreele |
fix import names for HKLF files - now explicit Shelx names
fix …
|
|
|
|
@1908
|
10 years |
vondreele |
Add save of pole figures in popLA format
|
|
|
|
@1907
|
10 years |
vondreele |
comment out the G2plotNB.clear in OnRefine? so that the new plot will …
|
|
|
|
@1906
|
10 years |
vondreele |
set lowest map search to 1.0 (from 10.)
|
|
|
|
@1903
|
10 years |
vondreele |
|
|
|
|
@1902
|
10 years |
vondreele |
suppress editing of 1st twin element; it is always the identity matrix …
|
|
|
|
@1901
|
10 years |
toby |
allow makeBat to be run from inside Canopy
|
|
|
|
@1898
|
10 years |
vondreele |
new constraint option - constrain atom variables as a set; constrain …
|
|
|
|
@1897
|
10 years |
vondreele |
fix unused histogram bug in G2strIO, uncomment dFdbab lines (they …
|
|
|
|
@1896
|
10 years |
vondreele |
add auto constraint for TwinFr? sum = 1.0
fix TwinFr? derivative - now …
|
|
|
|
@1895
|
10 years |
vondreele |
fixes to background & twin stuff
|
|
|
|
@1894
|
10 years |
vondreele |
Twins & Flack parameter can't exist together - make each exclusive …
|
|
|
|
@1893
|
10 years |
toby |
fix background fitting by interpolation
|
|
|
|
@1892
|
10 years |
toby |
treat mis-aligned numbers as zero
|
|
|
|
@1891
|
10 years |
vondreele |
modify Twin GUI - single refinement flag
all derivatives OK except …
|
|
|
|
@1890
|
10 years |
vondreele |
fix Flack derivative & other adjustments to single crystal derivatives
|
|
|
|
@1889
|
10 years |
toby |
Add fixed background points; animate dragging points and lines; add …
|
|
|
|
@1888
|
10 years |
vondreele |
|
|
|
|
@1887
|
10 years |
vondreele |
default new twin to inversion twin - usual case
fix twin results …
|
|
|
|
@1886
|
10 years |
vondreele |
refactor StructureFactor2 & StructureFactorDerv? for twinning - deriv …
|
|
|
|
@1885
|
10 years |
vondreele |
reload atoms now registered in General
|
|
|
|
@1884
|
10 years |
vondreele |
remove some unused imports
add merohedral/pseudomerohedral Twin Laws …
|
|
|
|
@1883
|
10 years |
vondreele |
revise cif importer to handle atoms without type. Atom name is …
|
|
|
|
@1882
|
10 years |
vondreele |
fix bug in G2plot that only shows up in Anaconda pythons
|
|
|
|
@1881
|
10 years |
toby |
fix bugs in single crystal editing as well as problems with …
|
|
|
|
@1880
|
10 years |
vondreele |
fix wx bug in SetMapPeaksText? - 'GridWindow?' vs 'grid window'
add …
|
|
|
|
@1879
|
10 years |
vondreele |
Flack now refining
|
|
|
|
@1878
|
10 years |
vondreele |
refactor DDataGUI - mostly move event routines to be inside respective …
|
|
|
|
@1877
|
10 years |
vondreele |
another Flack fix
|
|
|
|
@1876
|
10 years |
vondreele |
Flack fix
|
|
|
|
@1875
|
10 years |
vondreele |
add Flack parameter to GUI (commented out for now)
|
|
|
|
@1874
|
10 years |
vondreele |
minor formatting change for TOF peak fitting
fix powder extinction & …
|
|
|
|
@1873
|
10 years |
vondreele |
add remaining ortho super space group symbols & check all - all done!
|
|
|
|
@1871
|
10 years |
toby |
add missing tutorials
|
|
|
|
@1869
|
10 years |
vondreele |
test super space group symbols
|
|
|
|
@1868
|
10 years |
toby |
error in tutorial link
|
|
|
|
@1866
|
10 years |
vondreele |
Add TOF single crystal tutorial to list
|
|
|
|
@1864
|
10 years |
vondreele |
revise single crystal derivatives - now same as for old GSAS
Scale & …
|
|
|
|
@1863
|
10 years |
vondreele |
fix file name in error msg
|
|
|
|
@1862
|
10 years |
vondreele |
remove print
|
|
|
|
@1861
|
10 years |
vondreele |
fix missing data error messages
|
|
|
|
@1860
|
10 years |
vondreele |
|
|
|
|
@1859
|
10 years |
toby |
fix for windows files with spaces
|
|
|
|
@1858
|
10 years |
toby |
add windows installer
|
|
|
|
@1857
|
10 years |
vondreele |
worki on derivatives - Fix Uij derivative (i!=j)
|
|
|
|
@1852
|
10 years |
vondreele |
addmtexture analysis tutorial to list in G2ctrls
remove Clear Texture …
|
|
|
|
@1850
|
10 years |
toby |
fix empty directories
|
|
|
|
@1845
|
10 years |
vondreele |
fix to texture refine weights
|
|
|
|
@1844
|
10 years |
vondreele |
fix math error in inverse pole figure OnMotion? - needed Bmat not Amat
|
|
|
|
@1843
|
10 years |
vondreele |
put ';' in Debye fxn background terms (was ':')
fix mask issue with …
|
|
|
|
@1842
|
10 years |
vondreele |
typo! not setRef should be seqRef
|
|
|
|
@1841
|
10 years |
vondreele |
small fix in ExportCells?
seqRefine now ignores phase texture
|
|
|
|
@1840
|
10 years |
vondreele |
Add an export routine (NB: not in exports!) for Unit Cell results as …
|
|
|
|
@1839
|
10 years |
vondreele |
provide graphical display for texture fit, change weighting scheme & …
|
|
|
|
@1838
|
10 years |
vondreele |
fix problem reading TOF powder data
|
|
|
|
@1837
|
10 years |
vondreele |
fix Mass problem on 1st LS if General not visited after atoms added …
|
|
|
|
@1836
|
10 years |
vondreele |
add Prfo to export powder reflections as txt & csv
fix G2ctrls (remove …
|
|
|
|
@1835
|
10 years |
vondreele |
fix problem with deleting/inserting data into phases
fix plot problem …
|
|
|
|
@1834
|
10 years |
vondreele |
redefine azimuthal angle in Sample Parms as the center of the …
|
|
|
|
@1833
|
10 years |
toby |
prev. ver. also fixed linux menu problem; missed one doc correction
|
|
|
|
@1832
|
10 years |
toby |
bug fix in unused grid code; doc fixes and cleanup
|
|
|
|
@1831
|
10 years |
toby |
move remaining generic controls to G2ctrls
|
|
|
|
@1830
|
10 years |
vondreele |
change ftol on texture refinement - stop on real convergence
improve …
|
|
|
|
@1829
|
10 years |
vondreele |
fix importers for HIPD & HIPPO data
|
|
|
|
@1828
|
10 years |
toby |
more tweaks on phase data; keeps selected histogram across phase
|
|
|
|
@1827
|
10 years |
toby |
fix scrollbar problems in many places; phase data in particular
|
|
|
|
@1826
|
10 years |
vondreele |
some adjustments to DDataGUI.
|
|
|
|
@1825
|
10 years |
toby |
move Texture index
|
|
|
|
@1824
|
10 years |
toby |
move Texture index
|
|
|
|
@1823
|
10 years |
toby |
revise paint of data tab
|
|
|
|
@1822
|
10 years |
vondreele |
selections on tree now update properly
Refine now returns to whatever …
|
|
|
|
@1821
|
10 years |
vondreele |
fix to Refine behavior when finished - now recovers last seen data …
|
|
|
|
@1820
|
10 years |
vondreele |
fix issues in reading powder peak lists (since TOF added)
force reload …
|
|
|
|
@1819
|
10 years |
toby |
fix constraints for all test cases
|
|
|
|
@1818
|
10 years |
toby |
fix immediate constraint problem; need to double check on skipped …
|
|
|
|
@1817
|
10 years |
vondreele |
Add plotting of all HKLF data sets together in one 3D plot
|
|
|
|
@1816
|
10 years |
vondreele |
fix penalty fxn bug
|
|
|
|
