|
|
@831
|
12 years |
vondreele |
more on rigid bodies
|
|
|
@823
|
12 years |
vondreele |
begin Rigid Body GUI stuff - make tree entry & main GUI
GUI code is in …
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|
|
@821
|
12 years |
vondreele |
fixes to Pawley restraint etc.
|
|
|
@820
|
12 years |
vondreele |
restraints development - almost done
works for bonds, angles, planes & …
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|
|
@817
|
13 years |
vondreele |
new GSASIIdata.py for useful data
add ramachandran calcs
show unit …
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|
|
@815
|
13 years |
vondreele |
another hot key
more restraint development
|
|
|
@814
|
13 years |
vondreele |
implement hot keys for some main menu & menu items
fix crash in …
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|
|
@808
|
13 years |
vondreele |
Add Babinet modification to form factors - works OK
Use atom Ids for …
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|
|
@807
|
13 years |
vondreele |
add ability to move atoms on the plot
start on bond restraint adding …
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|
|
@804
|
13 years |
vondreele |
remove a "finally" that isn't needed & gives errors sometimes
|
|
|
@803
|
13 years |
vondreele |
GSASIImath.py: map search gives mag in name, & change a looping form …
|
|
|
@797
|
13 years |
vondreele |
some fixes to TOF stuff
some fixes to SXC stuff
|
|
|
@796
|
13 years |
vondreele |
revise instrument parameters (again); now two dictionaries
revise key …
|
|
|
@795
|
13 years |
vondreele |
implement TOF input, peak search & fitting
auto peak search
convert …
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|
|
@789
|
13 years |
vondreele |
different solution to the move atom problem - works better
|
|
|
@788
|
13 years |
vondreele |
tweak of atom move
|
|
|
@787
|
13 years |
vondreele |
remove stray debug print
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|
|
@786
|
13 years |
vondreele |
allow dragging of atoms from one part of atom list to another
|
|
|
@781
|
13 years |
vondreele |
small fix to one of the popup dialog boxes
|
|
|
@774
|
13 years |
vondreele |
Add find equivalent peaks to mappeaks
|
|
|
@773
|
13 years |
vondreele |
improve atom, drawatom & mappeak selection
|
|
|
@765
|
13 years |
toby |
refactor menus on Mac, clean up main menu generation
|
|
|
@764
|
13 years |
vondreele |
messed up - these are the new versions
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|
|
@763
|
13 years |
vondreele |
change peak search algorithm - now much faster & more complete
|
|
|
@762
|
13 years |
toby |
update py files to use native line ends, add update from svn to help …
|
|
|
@761
|
13 years |
toby |
try looking up space groups in table when needed with user input
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|
|
@758
|
13 years |
vondreele |
fix in sph. harm. for hex/rhom/trig
fix for view dir in plots
remove a …
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|
|
@757
|
13 years |
vondreele |
remove inverse check from peak search - didn't work
implement Zshift …
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|
|
@756
|
13 years |
vondreele |
change display of density maps - now faster
implement a view direction …
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|
|
@755
|
13 years |
vondreele |
fix rotation about view direction
eliminate divide by zero error in …
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|
|
@754
|
13 years |
vondreele |
final cleanup of quaternion stuff
|
|
|
@753
|
13 years |
vondreele |
change structure rotation mechanisms - now use quaternions
|
|
|
@752
|
13 years |
vondreele |
add peak distance, view point selection & distance options
allow …
|
|
|
@751
|
13 years |
vondreele |
peak search limit now 1000 peaks
allow modification of view point in …
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|
|
@750
|
13 years |
vondreele |
put inverse checker back in SearchMap?
add atom rename facility
update …
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|
|
@749
|
13 years |
vondreele |
fix crash on delete atoms
couple roll & peak shift on charge flip maps
|
|
|
@748
|
13 years |
vondreele |
change view point operation & use view point as atom insertion
remove …
|
|
|
@747
|
13 years |
vondreele |
fix to Pawley estimate - subtract background
get neg weight on penalty …
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|
|
@746
|
13 years |
vondreele |
enter Pawley weight for negatives - penalty fxn.
remove delete Pawley …
|
|
|
@744
|
13 years |
vondreele |
a mod to Pawley estimate
fix wt fr calc issues
address memory issues
|
|
|
@738
|
13 years |
vondreele |
put wx.BusyCursor? in various places
|
|
|
@736
|
13 years |
vondreele |
add space group choice to cell indexing page
|
|
|
@733
|
13 years |
vondreele |
fix to pawley update
|
|
|
@729
|
13 years |
vondreele |
minor fixes to mapPeaks plotting
begin to add charge flipping tutorial
|
|
|
@727
|
13 years |
vondreele |
add generic sort routine to G2mth
add dzero - distance of peak from …
|
|
|
@724
|
13 years |
vondreele |
update Fit Peaks.htm to Matt's suggestion
add a force to unit cell …
|
|
|
@721
|
13 years |
vondreele |
add dist/angle calc for map peaks
unique peaks selects unique set from …
|
|
|
@719
|
13 years |
vondreele |
fix up atom color change items
|
|
|
@714
|
13 years |
vondreele |
fix denSizer error
|
|
|
@710
|
13 years |
vondreele |
update garnet tutorial to reflect new options
fix backbone plotting …
|
|
|
@709
|
13 years |
vondreele |
add testGSASIIstruct.py
a fix to the data window restore after Refine …
|
|
|
@704
|
13 years |
vondreele |
minor cleanup
|
|
|
@703
|
13 years |
vondreele |
better fix to density problem
|
|
|
@702
|
13 years |
vondreele |
fix up the drawing options window
|
|
|
@701
|
13 years |
vondreele |
change Hessian progress bar dialog
fix crash in General cell & isotope …
|
|
|
@699
|
13 years |
vondreele |
implement restore data window after refine
implement sample parameters …
|
|
|
@698
|
13 years |
vondreele |
implement Pawley update from reflection list
a bit more for stress/atrain
|
|
|
@697
|
13 years |
vondreele |
add ranId to PWDR histograms & each PhaseSelector?
implement 'Use' for …
|
|
|
@696
|
13 years |
vondreele |
begin implementation of image strain analysis - GUI stuff first
make …
|
|
|
@690
|
13 years |
vondreele |
use wx.CallAfter? in UpdateGeneral?; maybe now OSX will work.
|
|
|
@683
|
13 years |
vondreele |
fix dlg.Destroy as needed
continue restraints work
|
|
|
@682
|
13 years |
toby |
remove extra destroy of modal dialogs within class defs; prevents Mac error
|
|
|
@674
|
13 years |
vondreele |
move peaksunique math to GSASIImath.py
fix geo correction in image …
|
|
|
@663
|
13 years |
vondreele |
fix too close peak rejection
|
|
|
@661
|
13 years |
toby |
complete revision number tracking
|
|
|
@658
|
13 years |
vondreele |
use steps/4 or /6 for fourier & charge flipping
more mods to …
|
|
|
@657
|
13 years |
vondreele |
fixups of findOffset & mapsearch
|
|
|
@652
|
13 years |
vondreele |
Add delete map peaks menu item
correct integration result for flat …
|
|
|
@650
|
13 years |
vondreele |
now reads Rayonix MX300HE tiff files
working on peaksUnique
bit of …
|
|
|
@648
|
13 years |
vondreele |
1st stab at a unique atoms picker - mostly GUI
format fix for …
|
|
|
@647
|
13 years |
vondreele |
HKLF mult fix
finish findOffset - works & reasonable speed
|
|
|
@646
|
13 years |
vondreele |
eliminate Friedel argument in genHKLf - didn't do anything
work on …
|
|
|
@636
|
13 years |
vondreele |
remove self.PWDR - not used
remove phase data plots & cell refine flag …
|
|
|
@630
|
13 years |
vondreele |
major mods for HKLF data
remove some dead code
mark more code as dead …
|
|
|
@623
|
13 years |
vondreele |
remove powder read from Data menu
remove 'menu' from import menus
use …
|
|
|
@620
|
13 years |
vondreele |
remove excessive tabs in source code
fix HKL controls GUI
change HKL …
|
|
|
@612
|
13 years |
vondreele |
complete combined x/n exercise & fix bugs uncovered in process
made …
|
|
|
@609
|
13 years |
vondreele |
adding more tutorials & fix some uncovered bugs
|
|
|
@584
|
13 years |
vondreele |
add coding line everywhere
more options in sample parm copy
|
|
|
@574
|
13 years |
vondreele |
fixed import of .gpx phases
|
|
|
@573
|
13 years |
vondreele |
add 'None' as one of the phase data plot options
trap failed charge …
|
|
|
@568
|
13 years |
vondreele |
remove gsas data window placement
moved peaks are C atoms
start on a …
|
|
|
@563
|
13 years |
vondreele |
add "None" element to table - used for charge flipping
mods to charge …
|
|
|
@551
|
13 years |
vondreele |
charge flipping
|
|
|
@537
|
13 years |
vondreele |
some refactoring/rearrangement in GSASIIgrid.py
fixes to …
|
|
|
@530
|
13 years |
vondreele |
small fix to HessianLSQ about # of cycles
finish map peak search (no …
|
|
|
@529
|
13 years |
vondreele |
fix rho min/max issues for contouring
fix errors in Fosq extraction in …
|
|
|
@527
|
13 years |
vondreele |
more on map peak fitting
add a global for htmlFirstUse
fix periodic …
|
|
|
@526
|
13 years |
vondreele |
make SetNewPhase? routine in GSASIIIO.py to initialize phase info
begin …
|
|
|
@522
|
13 years |
vondreele |
begin map search routines - GUI so far
make map move outside unit cell …
|
|
|
@521
|
13 years |
vondreele |
fourier maps & contouring - limiting sphere
|
|
|
@520
|
13 years |
vondreele |
separate getHKLmax
|
|
|
@519
|
13 years |
vondreele |
fixes to ViewParmDialog? try to get size right
add copy of refinement …
|
|
|
@509
|
13 years |
vondreele |
shuffle data GUI for clarity
|
|
|
@508
|
13 years |
vondreele |
some refactoring in GSASIIphsGUI.py
implement LG mixing coeff for size …
|
|
|
@486
|
13 years |
vondreele |
edit help & fix references to it
begin implementation of Fourier calcs.
|
|
|
@485
|
13 years |
vondreele |
|
|
|
@484
|
13 years |
vondreele |
change authorship
split GSASIIelem into a GUI & non-GUI parts
replace …
|
|
|
@483
|
13 years |
vondreele |
changes to eliminate wx objects (Colour & Point) from being saved in …
|
|
|
@477
|
13 years |
vondreele |
final fixes to dist-angle-torsion calc.
|
|
|