|
|
@828
|
12 years |
vondreele |
fix a constraint error
change powder plot titles
|
|
|
@827
|
12 years |
vondreele |
added gonio angles to image GUI for transfer to powder data sample GUI …
|
|
|
@826
|
12 years |
vondreele |
fixes to restraints - texture now works
|
|
|
@825
|
12 years |
vondreele |
small fixes to restraint processing
|
|
|
@824
|
12 years |
vondreele |
added read of edf (European data file) image files
more work on …
|
|
|
@823
|
12 years |
vondreele |
begin Rigid Body GUI stuff - make tree entry & main GUI
GUI code is in …
|
|
|
@822
|
12 years |
vondreele |
restraints for bond, angle, plane & chiral volume complete
chem. comp. …
|
|
|
@821
|
12 years |
vondreele |
fixes to Pawley restraint etc.
|
|
|
@820
|
12 years |
vondreele |
restraints development - almost done
works for bonds, angles, planes & …
|
|
|
@819
|
12 years |
vondreele |
restraint fixes
|
|
|
@818
|
12 years |
vondreele |
complete restraint GUI stuff
provide restraint plots for torsions & …
|
|
|
@817
|
13 years |
vondreele |
new GSASIIdata.py for useful data
add ramachandran calcs
show unit …
|
|
|
@816
|
13 years |
vondreele |
|
|
|
@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 …
|
|
|
@813
|
13 years |
vondreele |
a bit more restraint fix
|
|
|
@812
|
13 years |
vondreele |
add restraint macro files
fix a triclinic error in genHlaue
continue …
|
|
|
@811
|
13 years |
vondreele |
split GSASIIgrid.py into 3 parts; GSASIIconstrGUI.py & …
|
|
|
@810
|
13 years |
vondreele |
add 'all' in constraint editing for histogram selection
|
|
|
@809
|
13 years |
vondreele |
apply zero point to plot x
|
|
|
@808
|
13 years |
vondreele |
Add Babinet modification to form factors - works OK
Use atom Ids for …
|
|
|
@807
|
13 years |
vondreele |
add ability to move atoms on the plot
start on bond restraint adding …
|
|
|
@806
|
13 years |
vondreele |
test
|
|
|
@805
|
13 years |
vondreele |
|
|
|
@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 …
|
|
|
@802
|
13 years |
vondreele |
final fixup of instrument parameters GUI display
|
|
|
@801
|
13 years |
vondreele |
fix TOF peak fitting - needed cw*derivs
|
|
|
@800
|
13 years |
vondreele |
key.ico --> Key.ico
|
|
|
@799
|
13 years |
toby |
lower case name to match source code
|
|
|
@798
|
13 years |
vondreele |
more peak fitting work including TOF
|
|
|
@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 …
|
|
|
@794
|
13 years |
vondreele |
still more iparm fixes - maybe that's all of them?
|
|
|
@793
|
13 years |
vondreele |
more iparm fixes
|
|
|
@792
|
13 years |
vondreele |
change instrument parameters to dict from lists
chase down effects - …
|
|
|
@791
|
13 years |
vondreele |
fix help reference for Windows browser
more work on gsasII help files
|
|
|
@790
|
13 years |
vondreele |
update help stuff for phase tabs
|
|
|
@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
|
|
|
@786
|
13 years |
vondreele |
allow dragging of atoms from one part of atom list to another
|
|
|
@785
|
13 years |
vondreele |
small GUI fix
|
|
|
@784
|
13 years |
vondreele |
add 10x sucrose data
|
|
|
@783
|
13 years |
vondreele |
finish up the cell keep during indexing
|
|
|
@782
|
13 years |
vondreele |
add flag for keep in cells from indexing result
add keep to indel …
|
|
|
@781
|
13 years |
vondreele |
small fix to one of the popup dialog boxes
|
|
|
@780
|
13 years |
vondreele |
fix sph. harm. error - bad acosd in CrsAng?
small detail in G2struct - …
|
|
|
@779
|
13 years |
vondreele |
try polynomial expansion for density peak fitting - OK result
|
|
|
@778
|
13 years |
toby |
add help separator as per request from Bob
|
|
|
@777
|
13 years |
vondreele |
fix problem with missing peakMax
|
|
|
@776
|
13 years |
toby |
revise menu creation to add 2nd separator on mac and put Help as final …
|
|
|
@775
|
13 years |
vondreele |
filling binwin2.6 with g77 stuff
|
|
|
@774
|
13 years |
vondreele |
Add find equivalent peaks to mappeaks
|
|
|
@773
|
13 years |
vondreele |
improve atom, drawatom & mappeak selection
|
|
|
@772
|
13 years |
vondreele |
add a print for bindir. Shows up at very beginning of GSAS-II startup.
|
|
|
@771
|
13 years |
vondreele |
actually no change in SConstruct
|
|
|
@770
|
13 years |
vondreele |
defin e variables in fellipse.for
|
|
|
@769
|
13 years |
vondreele |
g77 versions
|
|
|
@768
|
13 years |
vondreele |
fix pypowder for gfortran & rebuild binwin2.7
|
|
|
@767
|
13 years |
vondreele |
replace all python2.7 32bit windows pyd files - some of the old ones …
|
|
|
@766
|
13 years |
vondreele |
map peaks now show with gray scale proportional to density
|
|
|
@765
|
13 years |
toby |
refactor menus on Mac, clean up main menu generation
|
|
|
@764
|
13 years |
vondreele |
messed up - these are the new versions
|
|
|
@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
|
|
|
@760
|
13 years |
toby |
try to deal with unrecognized space group symbols
|
|
|
@759
|
13 years |
vondreele |
fix excessive redraws of structure - no redraw on setfocus
|
|
|
@758
|
13 years |
vondreele |
fix in sph. harm. for hex/rhom/trig
fix for view dir in plots
remove a …
|
|
|
@757
|
13 years |
vondreele |
remove inverse check from peak search - didn't work
implement Zshift …
|
|
|
@756
|
13 years |
vondreele |
change display of density maps - now faster
implement a view direction …
|
|
|
@755
|
13 years |
vondreele |
fix rotation about view direction
eliminate divide by zero error in …
|
|
|
@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 …
|
|
|
@750
|
13 years |
vondreele |
put inverse checker back in SearchMap?
add atom rename facility
update …
|
|
|
@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 …
|
|
|
@746
|
13 years |
vondreele |
enter Pawley weight for negatives - penalty fxn.
remove delete Pawley …
|
|
|
@745
|
13 years |
vondreele |
new 64bit pyd directory
|
|
|
@744
|
13 years |
vondreele |
a mod to Pawley estimate
fix wt fr calc issues
address memory issues
|
|
|
@743
|
13 years |
vondreele |
fix PO refinement output & calcs for SH
|
|
|
@742
|
13 years |
vondreele |
now get weight fractions from multiphase refinements
involved a major …
|
|
|
@741
|
13 years |
vondreele |
change Pawley handling of negative F's
fix bug in for results …
|
|
|
@740
|
13 years |
vondreele |
bug fixes
|
|
|
@739
|
13 years |
vondreele |
work on restraints editing
|
|
|
@738
|
13 years |
vondreele |
put wx.BusyCursor? in various places
|
|
|
@736
|
13 years |
vondreele |
add space group choice to cell indexing page
|
|
|
@735
|
13 years |
vondreele |
back to 701 (modified)
|
|
|
@734
|
13 years |
vondreele |
fix Pawley
|
|
|
@733
|
13 years |
vondreele |
fix to pawley update
|
|
|
@732
|
13 years |
vondreele |
changes
|
|
|
@731
|
13 years |
vondreele |
|
|
|
@730
|
13 years |
vondreele |
a try to fix the neg pawley peak problem
|
|
|
@729
|
13 years |
vondreele |
minor fixes to mapPeaks plotting
begin to add charge flipping tutorial
|
|
|
@728
|
13 years |
vondreele |
trap sqrt error from bad U,V,W
|
|
|