|
|
|
@3163
|
8 years |
vondreele |
fix typo in Tb neutron scattering factors; extra space
fix lst output …
|
|
|
|
@3157
|
8 years |
vondreele |
add Lorentzian term 'Z' to CW profile instrument parameters - constant …
|
|
|
|
@3136
|
8 years |
vondreele |
make GSAS-II python 3.6 compliant & preserve python 2.7 use;changes: …
|
|
|
|
@3054
|
8 years |
vondreele |
fixes to MCSA gui routines; trap <3 atom RBs
fix missing AtLookup? …
|
|
|
|
@3046
|
8 years |
toby |
label user-supplied & code-generated equivalences (constraints); …
|
|
|
|
@3000
|
8 years |
toby |
make the two frame version the trunk as we hit version 3000
|
|
|
|
@2840
|
8 years |
vondreele |
fix PDB importer & reimport atoms
rework RB GUI - now shows just one …
|
|
|
|
@2770
|
8 years |
vondreele |
fix import new phase behavior - wasn't finishing properly
fix HKL …
|
|
|
|
@2766
|
8 years |
vondreele |
add display of optional vertical lines to PlotXY (used for …
|
|
|
|
@2753
|
8 years |
vondreele |
minor shuffling about for atom constraints - no discernable impact …
|
|
|
|
@2752
|
8 years |
vondreele |
fix (again) a LeBail? bug on loading a new phase
|
|
|
|
@2750
|
8 years |
vondreele |
fix issues with adding new phase, forgetting to add atoms to it,
and …
|
|
|
|
@2748
|
8 years |
vondreele |
Sigh, another LeBail? fix
|
|
|
|
@2746
|
8 years |
vondreele |
fix another Lebail bug
dress up some formatting for mustrain & size …
|
|
|
|
@2743
|
8 years |
vondreele |
more Lebail fixes
|
|
|
|
@2741
|
8 years |
vondreele |
fix issues with LeBail? flags & Rietveld refinement
|
|
|
|
@2739
|
8 years |
vondreele |
comment out "other self-updating plots" - caused failures in GSASII.py …
|
|
|
|
@2735
|
8 years |
vondreele |
set default flight path = 20. in case FPATH0 missing from TOF Iparm …
|
|
|
|
@2732
|
8 years |
vondreele |
finish up LeBail? extraction option
|
|
|
|
@2728
|
8 years |
vondreele |
disable LeBail? stuff - messed up Rietveld.
|
|
|
|
@2727
|
8 years |
vondreele |
fix issue with formula volume in PDF creation
block Lebail selection …
|
|
|
|
@2718
|
8 years |
vondreele |
implement LaBail? - not finished.
|
|
|
|
@2715
|
8 years |
vondreele |
put histogram numbers in sorted order for View LS parms
remove some …
|
|
|
|
@2698
|
8 years |
vondreele |
work over sequentia fit stuff - allow all parameters shown in table to …
|
|
|
|
@2658
|
8 years |
toby |
fix problem reporting histogram with Unicode chars
|
|
|
|
@2633
|
8 years |
vondreele |
rename 'Rb' & 'wRb' as 'R-bkg' & 'wR-bkg'
|
|
|
|
@2616
|
8 years |
vondreele |
add Durbin-Watson statistic to refinement results for PWDR data
some …
|
|
|
|
@2589
|
8 years |
vondreele |
Make Pawley dmin define limits for histograms upon refinement - do …
|
|
|
|
@2565
|
8 years |
vondreele |
more fixes to getCellEsd
|
|
|
|
@2564
|
8 years |
vondreele |
fix add element bug in PDF controls
fix math error in getCellEsd
|
|
|
|
@2562
|
8 years |
vondreele |
more work on CellEsds?
|
|
|
|
@2560
|
8 years |
vondreele |
make A2Gmat return np.arrays
put in spinners for Background & …
|
|
|
|
@2546
|
9 years |
vondreele |
cleanup of all GSASII main routines - remove unused variables, dead …
|
|
|
|
@2520
|
9 years |
vondreele |
remove unused & commented Srr fctr & deriv routines
Mag moment …
|
|
|
|
@2495
|
9 years |
vondreele |
some cleanup of Data tab
fix (!) crash after Refine for Costraints & …
|
|
|
|
@2483
|
9 years |
vondreele |
fix site symmetry issues for magnetic moments on special positions
|
|
|
|
@2481
|
9 years |
vondreele |
force Transform to delete nonmagnetic atoms if phase made magnetic & …
|
|
|
|
@2478
|
9 years |
vondreele |
work up to magnetic structure factor calcs.
|
|
|
|
@2474
|
9 years |
vondreele |
fix spin inversion plot & some refine list issues
|
|
|
|
@2473
|
9 years |
vondreele |
work on magnetic structures - import from EXP, plotting, LS refine …
|
|
|
|
@2450
|
9 years |
vondreele |
fix error in matrix in getCellEsd & RetDistAngle?
Add new atom drawing …
|
|
|
|
@2448
|
9 years |
vondreele |
fix error in getCellEsd - bad v*mat*v inner product. Cell esds now OK
|
|
|
|
@2405
|
9 years |
vondreele |
fix missing 'Modulated' key problem
|
|
|
|
@2401
|
9 years |
vondreele |
begin adding magnetism; change space group fortran code
modify …
|
|
|
|
@2245
|
9 years |
vondreele |
add a line to the layer GUI informing lack of refinement capability …
|
|
|
|
@2184
|
9 years |
vondreele |
fix problems in adding atoms, etc for 'faulted' phases in the regular …
|
|
|
|
@2156
|
9 years |
vondreele |
one more ':' to ';'
remove Sample displ x & y from TOF
|
|
|
|
@2155
|
9 years |
vondreele |
fix bug - Mustrain: should be Mustrain; everywhere
|
|
|
|
@2154
|
9 years |
vondreele |
remove range restriction on LGmix - inhibited doing refinements
do …
|
|
|
|
@2110
|
9 years |
vondreele |
add menu item for global setting of wave vary parameters - TBD
split …
|
|
|
|
@2070
|
10 years |
vondreele |
remove extraneous argument from G2mth.posFourier
work on ZigZag/Block? …
|
|
|
|
@2064
|
10 years |
vondreele |
more fixed to SS modulation display & Refine listing
|
|
|
|
@2062
|
10 years |
vondreele |
exclude non variable SS parms from constraint lists
define ZigZag? & …
|
|
|
|
@1996
|
10 years |
vondreele |
fix Fade problem
ModulationDeriv? work
twin sf error fixed
|
|
|
|
@1978
|
10 years |
vondreele |
fix to update reflections in HKLplot
remove ZigZag? from incommensurate …
|
|
|
|
@1956
|
10 years |
vondreele |
fix (again) fill unit cell, dynamic SS drawing & GenAtom? issues - now …
|
|
|
|
@1954
|
10 years |
vondreele |
add print line whwn lambda is changed in Levenberg-Marquardt …
|
|
|
|
@1944
|
10 years |
vondreele |
add G2HistDataDialog for editing e.g. orientation angles over all …
|
|
|
|
@1923
|
10 years |
vondreele |
further twin work
|
|
|
|
@1918
|
10 years |
vondreele |
further mods on twins
|
|
|
|
@1917
|
10 years |
vondreele |
better handling of nonmerohedral twins
|
|
|
|
@1915
|
10 years |
vondreele |
start on riding constraints - works for atom frac,x,y,z; skipping u's …
|
|
|
|
@1910
|
10 years |
vondreele |
fix reading run-on numbers in Shelx HKLF 4 files
implement all I/O for …
|
|
|
|
@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 …
|
|
|
|
@1894
|
10 years |
vondreele |
Twins & Flack parameter can't exist together - make each exclusive …
|
|
|
|
@1891
|
10 years |
vondreele |
modify Twin GUI - single refinement flag
all derivatives OK except …
|
|
|
|
@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 …
|
|
|
|
@1884
|
10 years |
vondreele |
remove some unused imports
add merohedral/pseudomerohedral Twin Laws …
|
|
|
|
@1876
|
10 years |
vondreele |
Flack fix
|
|
|
|
@1875
|
10 years |
vondreele |
add Flack parameter to GUI (commented out for now)
|
|
|
|
@1861
|
10 years |
vondreele |
fix missing data error messages
|
|
|
|
@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 …
|
|
|
|
@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
|
|
|
|
@1820
|
10 years |
vondreele |
fix issues in reading powder peak lists (since TOF added)
force reload …
|
|
|
|
@1815
|
10 years |
vondreele |
revise MovePatternTreeToGrid? to have PickId? set near top & not in …
|
|
|
|
@1813
|
10 years |
vondreele |
revise GSAS-II exception handling - traps user aborts & I hope the bad …
|
|
|
|
@1805
|
10 years |
toby |
fix bug on with unused constraints and with chained equivalences; …
|
|
|
|
@1800
|
10 years |
vondreele |
show no. space group extinct reflections in HKLF data - rejected from …
|
|
|
|
@1782
|
10 years |
vondreele |
fix display of fixed wavelength selection
show no. user rejected refl. …
|
|
|
|
@1781
|
10 years |
vondreele |
fix bug from old Pref.Ori. not having penalty items
Implement colors …
|
|
|
|
@1777
|
10 years |
vondreele |
fixes to SH texture penalty fxn
|
|
|
|
@1775
|
10 years |
vondreele |
fix to SH texture stuff
|
|
|
|
@1773
|
10 years |
vondreele |
provide sig,gam & FWHM in export of PWDR reflection set as csv & txt …
|
|
|
|
@1771
|
10 years |
vondreele |
revise spherical harmonics lst output to have reasonable line lengths
|
|
|
|
@1762
|
10 years |
vondreele |
fix exports of reflection csv & txt files to work for CW & TOF data as …
|
|
|
|
@1682
|
10 years |
vondreele |
do sums of Bragg intensity, and background terms put results into .lst file
|
|
|
|
@1664
|
10 years |
vondreele |
fix rhombohedral lattice constraints
|
|
|
|
@1663
|
10 years |
vondreele |
change default single crystal extinction coeff to 1e-7 from 1e-10
fix …
|
|
|
|
@1660
|
10 years |
vondreele |
fix crash in viewing PWDR data Limits
add new item to PWDR data …
|
|
|
|
@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 …
|
|
|
|
@1618
|
10 years |
vondreele |
fix space group print in shelx export
fix errors when data is deleted …
|
|
|
|
@1616
|
10 years |
vondreele |
oops forgot to remove a raise Exception
|
|
|
|
@1615
|
10 years |
vondreele |
more work on incommensurate wave input to LS
fix FillAtomLookup? …
|
|
|
|
