|
|
@1054
|
12 years |
vondreele |
fix for RB plotting
|
|
|
@1032
|
12 years |
toby |
Use Q not q; only read .gpx files
|
|
|
@1025
|
12 years |
vondreele |
fix excluded region problems
|
|
|
@1017
|
12 years |
vondreele |
implement excluded regions - 1st attempt
|
|
|
@1005
|
12 years |
vondreele |
removed try/except for set focus items
fixed 'N' & 'P' key behavior …
|
|
|
@1004
|
12 years |
toby |
recapture focus on plot window so keyboard commands work
|
|
|
@998
|
12 years |
vondreele |
make widths correct in Export HKLs from PWD data
|
|
|
@993
|
12 years |
vondreele |
added 'C' to charge flip map key box
|
|
|
@987
|
12 years |
vondreele |
GLUT eliminated! Now use gltext for all atom labelling
|
|
|
@986
|
12 years |
vondreele |
remove getFont using freetype
|
|
|
@985
|
12 years |
vondreele |
remove glFreeType & add gltext - works much better
implement gltext - …
|
|
|
@984
|
12 years |
vondreele |
update Win2.7 g77 binaries
cov matrix now not modified by lam
no label …
|
|
|
@978
|
12 years |
vondreele |
make MC/SA fortran stuff all REAL*8
add glFreeType.py - doesn't work …
|
|
|
@961
|
12 years |
vondreele |
fix rb constraints - useCount
fix Uij2Ueqv
mods to anneal algorithms …
|
|
|
@953
|
12 years |
vondreele |
fixes to RB refinement & MC/SA
|
|
|
@951
|
12 years |
vondreele |
more on MC/SA
|
|
|
@939
|
12 years |
toby |
fix & cleanup unit tests; add/change doc strings for sphinx; add all …
|
|
|
@936
|
12 years |
vondreele |
more MC/SA stuff
further drawing optimization
|
|
|
@935
|
12 years |
vondreele |
improve label plotting - now a fixed offset from atom in drawing plane …
|
|
|
@934
|
12 years |
vondreele |
changes for MC/SA
|
|
|
@924
|
12 years |
toby |
plot fixes: save more Draw Options widgets & reference directly; fix …
|
|
|
@922
|
12 years |
toby |
prevent phase tab from multiple call by plot using CallAfter?
|
|
|
@910
|
12 years |
vondreele |
closer to RB
fix plot problem
|
|
|
@885
|
12 years |
vondreele |
add 'Global' to constraints
remove a stray debug print
fix U6toUij so …
|
|
|
@867
|
12 years |
vondreele |
one more scaling correction to mustrain plots
|
|
|
@864
|
12 years |
vondreele |
fix to mustrain plot scaling - generalized was off by 100X
remove a …
|
|
|
@863
|
12 years |
vondreele |
fix to notebook & comment (not allowed) editing
avoid a dead window …
|
|
|
@860
|
12 years |
vondreele |
more fixes to rigid body stuff
|
|
|
@859
|
12 years |
vondreele |
still more rigid body fixes
add thermal motion models
allow copy of RB …
|
|
|
@855
|
12 years |
vondreele |
RB input mostly finished; now has thermal motion models
|
|
|
@854
|
12 years |
vondreele |
more rigid body stuff
|
|
|
@853
|
12 years |
vondreele |
more rigid body stuff
|
|
|
@851
|
12 years |
vondreele |
more rigid body stuff, plotting, RB placement, import of more types of …
|
|
|
@843
|
12 years |
vondreele |
set proper defaults for Controls
improve HKLF plot
|
|
|
@840
|
12 years |
vondreele |
define torsion sequences in RBs
show/hide bonds between map peaks with …
|
|
|
@839
|
12 years |
vondreele |
draw bonds between map peaks
|
|
|
@837
|
12 years |
vondreele |
more on rigid bodies - imput of text file of coordinates
work on HKL …
|
|
|
@836
|
12 years |
vondreele |
finish restraint rigid body input & display
|
|
|
@835
|
12 years |
vondreele |
more work on rigid bodies
fixes for crash in selecting wavelengths
|
|
|
@834
|
12 years |
vondreele |
|
|
|
@832
|
12 years |
vondreele |
key.ico fix
|
|
|
@831
|
12 years |
vondreele |
more on rigid bodies
|
|
|
@828
|
12 years |
vondreele |
fix a constraint error
change powder plot titles
|
|
|
@818
|
12 years |
vondreele |
complete restraint GUI stuff
provide restraint plots for torsions & …
|
|
|
@817
|
12 years |
vondreele |
new GSASIIdata.py for useful data
add ramachandran calcs
show unit …
|
|
|
@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 …
|
|
|
@803
|
13 years |
vondreele |
GSASIImath.py: map search gives mag in name, & change a looping form …
|
|
|
@800
|
13 years |
vondreele |
key.ico --> Key.ico
|
|
|
@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 …
|
|
|
@792
|
13 years |
vondreele |
change instrument parameters to dict from lists
chase down effects - …
|
|
|
@777
|
13 years |
vondreele |
fix problem with missing peakMax
|
|
|
@766
|
13 years |
vondreele |
map peaks now show with gray scale proportional to density
|
|
|
@762
|
13 years |
toby |
update py files to use native line ends, add update from svn to help …
|
|
|
@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
|
|
|
@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 …
|
|
|
@740
|
13 years |
vondreele |
bug fixes
|
|
|
@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
|
|
|
@727
|
13 years |
vondreele |
add generic sort routine to G2mth
add dzero - distance of peak from …
|
|
|
@725
|
13 years |
vondreele |
change f-map color to green
|
|
|
@723
|
13 years |
toby |
fix other mac/linux error with file naming
|
|
|
@721
|
13 years |
vondreele |
add dist/angle calc for map peaks
unique peaks selects unique set from …
|
|
|
@720
|
13 years |
vondreele |
fix to map peak plotting
|
|
|
@713
|
13 years |
vondreele |
fix plot display size for Mac
|
|
|
@712
|
13 years |
vondreele |
fis Mac crash after PWDR delete
|
|
|
@711
|
13 years |
vondreele |
fix Mac crash on use of key press pulldown
|
|
|
@710
|
13 years |
vondreele |
update garnet tutorial to reflect new options
fix backbone plotting …
|
|
|
@706
|
13 years |
vondreele |
fix sumimage - missing code!
more work on strain fitting
|
|
|
@699
|
13 years |
vondreele |
implement restore data window after refine
implement sample parameters …
|
|
|
@696
|
13 years |
vondreele |
begin implementation of image strain analysis - GUI stuff first
make …
|
|
|
@687
|
13 years |
vondreele |
histogram wtFactors for PWDR & HKLF (latter not implemented yet)
means …
|
|
|
@683
|
13 years |
vondreele |
fix dlg.Destroy as needed
continue restraints work
|
|
|
@661
|
13 years |
toby |
complete revision number tracking
|
|
|
@646
|
13 years |
vondreele |
eliminate Friedel argument in genHKLf - didn't do anything
work on …
|
|
|
@644
|
13 years |
vondreele |
fix map plotting error
working on findOffset
|
|
|
@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 …
|
|
|
@584
|
13 years |
vondreele |
add coding line everywhere
more options in sample parm copy
|
|
|
@573
|
13 years |
vondreele |
add 'None' as one of the phase data plot options
trap failed charge …
|
|
|
@552
|
13 years |
vondreele |
charge flipping
|
|
|
@537
|
13 years |
vondreele |
some refactoring/rearrangement in GSASIIgrid.py
fixes to …
|
|
|
@536
|
13 years |
vondreele |
add more text to help file
refactor image GUI stuff
add centerAzm …
|
|
|
@529
|
13 years |
vondreele |
fix rho min/max issues for contouring
fix errors in Fosq extraction in …
|
|
|
@526
|
13 years |
vondreele |
make SetNewPhase? routine in GSASIIIO.py to initialize phase info
begin …
|
|
|