|
|
|
@1122
|
10 years |
vondreele |
rename ASCIImap to just map
add export of ccp4 maps
|
|
|
|
@1117
|
10 years |
toby |
update some menu labels; Add new multi-item selector; Add map export; …
|
|
|
|
@1115
|
10 years |
toby |
rework exports for new types
|
|
|
|
@1110
|
10 years |
vondreele |
removed Uniq % Phi from reflection data structure - make locally …
|
|
|
|
@1106
|
10 years |
vondreele |
modify reflection array to be a dictionary with 4 items: RefList?, …
|
|
|
|
@1102
|
10 years |
toby |
change exports to always have lists of phases & histograms; new export …
|
|
|
|
@1100
|
10 years |
vondreele |
finish 1st version (workable) of a PDB exporter for macromolecular …
|
|
|
|
@1084
|
10 years |
toby |
installer uses xterm on GNOME shortcut
|
|
|
|
@1080
|
10 years |
toby |
revise export menu; add multiple selection to G2gd.ItemSelector?
|
|
|
|
@1074
|
10 years |
toby |
more CIF work
|
|
|
|
@1057
|
10 years |
toby |
reorg UserCalibrants? into ImageCalibrants?; Add trim (whitespace) …
|
|
|
|
@1034
|
10 years |
toby |
fix Vic's bug?
|
|
|
|
@1020
|
10 years |
toby |
fix Matt's path bug; minor disagl cleanup
|
|
|
|
@1010
|
10 years |
toby |
more CIF work
|
|
|
|
@1006
|
10 years |
toby |
fix Bob's bug when multiple HKL files are read; pickup shelx …
|
|
|
|
@981
|
10 years |
toby |
introduce regress option; fix esd printing; more docs; new Mac app …
|
|
|
|
@960
|
10 years |
toby |
check in CIF dev snapshot
|
|
|
|
@956
|
10 years |
toby |
snapshot of CIF dev
|
|
|
|
@944
|
10 years |
vondreele |
fix l/r u/d issues in some images (MAR mostly)
|
|
|
|
@942
|
10 years |
vondreele |
mods for MC/SA:
moved scat fac routines from GSASIIstrIO.py & …
|
|
|
|
@941
|
10 years |
toby |
fix Matts mac bug on switching phase tabs; start doc of phase …
|
|
|
|
@938
|
10 years |
toby |
Add instrument name support; add export menu & CIF testing
|
|
|
|
@923
|
10 years |
toby |
more doc updates
|
|
|
|
@905
|
10 years |
vondreele |
new MAR CCD reader
testDeriv.py is new - old testGSASIIstruct.py …
|
|
|
|
@894
|
10 years |
vondreele |
fix pixel size for MAR225
|
|
|
|
@887
|
10 years |
toby |
xfer lambda & T from GPX histograms; remove Cancel from selection of …
|
|
|
|
@886
|
10 years |
toby |
make GSAS iparm files the default option; suppress iparm reuse for GPX …
|
|
|
|
@885
|
10 years |
vondreele |
add 'Global' to constraints
remove a stray debug print
fix U6toUij so …
|
|
|
|
@871
|
11 years |
vondreele |
3Kx3K MAR tif image files now read.
|
|
|
|
@848
|
11 years |
vondreele |
move all class stuff in GSAIIphsGUI to GSASIIgrid.py
move all DData …
|
|
|
|
@846
|
11 years |
vondreele |
Fix to edf image file read
|
|
|
|
@827
|
11 years |
vondreele |
added gonio angles to image GUI for transfer to powder data sample GUI …
|
|
|
|
@824
|
11 years |
vondreele |
added read of edf (European data file) image files
more work on …
|
|
|
|
@798
|
11 years |
vondreele |
more peak fitting work including TOF
|
|
|
|
@797
|
11 years |
vondreele |
some fixes to TOF stuff
some fixes to SXC stuff
|
|
|
|
@796
|
11 years |
vondreele |
revise instrument parameters (again); now two dictionaries
revise key …
|
|
|
|
@795
|
11 years |
vondreele |
implement TOF input, peak search & fitting
auto peak search
convert …
|
|
|
|
@794
|
11 years |
vondreele |
still more iparm fixes - maybe that's all of them?
|
|
|
|
@793
|
11 years |
vondreele |
more iparm fixes
|
|
|
|
@792
|
11 years |
vondreele |
change instrument parameters to dict from lists
chase down effects - …
|
|
|
|
@762
|
11 years |
toby |
update py files to use native line ends, add update from svn to help …
|
|
|
|
@761
|
11 years |
toby |
try looking up space groups in table when needed with user input
|
|
|
|
@760
|
11 years |
toby |
try to deal with unrecognized space group symbols
|
|
|
|
@697
|
11 years |
vondreele |
add ranId to PWDR histograms & each PhaseSelector?
implement 'Use' for …
|
|
|
|
@695
|
11 years |
vondreele |
read 11-ID-C tiff images & transfer det-sample dist from image calib. …
|
|
|
|
@688
|
11 years |
toby |
use instprm or .prm files as input for histogram import
|
|
|
|
@683
|
11 years |
vondreele |
fix dlg.Destroy as needed
continue restraints work
|
|
|
|
@678
|
11 years |
vondreele |
slight mod to message for bad gpx file
|
|
|
|
@677
|
11 years |
toby |
Provide error message on project import
|
|
|
|
@670
|
11 years |
toby |
add .GPX file name to window title
|
|
|
|
@661
|
11 years |
toby |
complete revision number tracking
|
|
|
|
@650
|
11 years |
vondreele |
now reads Rayonix MX300HE tiff files
working on peaksUnique
bit of …
|
|
|
|
@649
|
11 years |
vondreele |
read Joel Bernier's tiff images - not done yet
finish negative Pawley …
|
|
|
|
@643
|
11 years |
toby |
allow multiple selection from zip on data input, read structure CIFs …
|
|
|
|
@641
|
11 years |
toby |
add support for zipped data and zip up largest exercise files
|
|
|
|
@630
|
11 years |
vondreele |
major mods for HKLF data
remove some dead code
mark more code as dead …
|
|
|
|
@622
|
11 years |
vondreele |
comment out HKLF read from Data menu
fix gpxphase read - remove …
|
|
|
|
@620
|
11 years |
vondreele |
remove excessive tabs in source code
fix HKL controls GUI
change HKL …
|
|
|
|
@616
|
11 years |
toby |
clean up default instrument parameters
|
|
|
|
@615
|
11 years |
toby |
add powder CIF importer, minor other updates to readers
|
|
|
|
@614
|
11 years |
toby |
import GSAS powder data tested; import routines moved to imports
|
|
|
|
@609
|
11 years |
vondreele |
adding more tutorials & fix some uncovered bugs
|
|
|
|
@607
|
11 years |
toby |
revise help to include tutorials on tree only; add kw args to all …
|
|
|
|
@584
|
11 years |
vondreele |
add coding line everywhere
more options in sample parm copy
|
|
|
|
@581
|
11 years |
toby |
refactor to simplify import setup
|
|
|
|
@580
|
11 years |
toby |
finish import structure factor; refactor import classes
|
|
|
|
@577
|
11 years |
toby |
fix error in reporting constraint errors
|
|
|
|
@573
|
11 years |
vondreele |
add 'None' as one of the phase data plot options
trap failed charge …
|
|
|
|
@537
|
11 years |
vondreele |
some refactoring/rearrangement in GSASIIgrid.py
fixes to …
|
|
|
|
@526
|
11 years |
vondreele |
make SetNewPhase? routine in GSASIIIO.py to initialize phase info
begin …
|
|
|
|
@502
|
12 years |
vondreele |
clean up space group output message box
minor fixes
|
|
|
|
@485
|
12 years |
vondreele |
|
|
|
|
@482
|
12 years |
vondreele |
move FileDlgFixExt? to G2IO
begin to add a save selected seq results to …
|
|
|
|
@475
|
12 years |
toby |
fix .EXP import with short SH record, more diagnostics on EXP/PDB read
|
|
|
|
@473
|
12 years |
vondreele |
Add FileDlgFixExt? to fix linux problem in FileDialog? where the …
|
|
|
|
@469
|
12 years |
toby |
rework phase import
|
|
|
|
@468
|
12 years |
vondreele |
changed self to G2frame everywhere in all "sub" files that use it …
|
|
|
|
@467
|
12 years |
vondreele |
more on file directories
fix for image controls & mask save
modify …
|
|
|
|
@466
|
12 years |
vondreele |
fix for PE tif file reading
invert y-axis on images
|
|
|
|
@464
|
12 years |
vondreele |
revamp directory behavior
|
|
|
|
@457
|
12 years |
vondreele |
begin distance angle calcs
move gpxfile routines from GSASIIstruct.py …
|
|
|
|
@450
|
12 years |
vondreele |
|
|
|
|
@432
|
12 years |
vondreele |
remove test prints from GSASIIIO
new Gmat2AB routine
work on the DData …
|
|
|
|
@430
|
12 years |
vondreele |
NB: There are a few stray print statements in this version
Some work …
|
|
|
|
@428
|
12 years |
vondreele |
begin something for plotting size & PO figures as well as mustrain …
|
|
|
|
@400
|
12 years |
vondreele |
new default for Vcov contour plot - RdYlGn?
faster cleanup on …
|
|
|
|
@399
|
12 years |
vondreele |
Implement sequential refinement
remove print "load" & "save" for each …
|
|
|
|
@397
|
12 years |
vondreele |
collect default settings for Sample in one routine
add recalibrate …
|
|
|
|
@391
|
12 years |
vondreele |
set default atom frac=1 for cif files
store covMatrix not normalized …
|
|
|
|
@384
|
12 years |
vondreele |
add constraint & restraint items to tree - now empty
fix noncentro …
|
|
|
|
@348
|
12 years |
vondreele |
fixes to GSASIIstruct.py for aniso profile broadening
suppress …
|
|
|
|
@342
|
12 years |
vondreele |
major modifications to get 1st "working" version of Refine
Add …
|
|
|
|
@303
|
12 years |
vondreele |
Allow reading of xye (Topas style) files
Begin implementation of …
|
|
|
|
@296
|
12 years |
vondreele |
major change to peak fitting in GSASIIpwd.py & GSASIIpwdGUI.py
"Auto …
|
|
|
|
@293
|
12 years |
vondreele |
fix error in powd
|
|
|
|
@292
|
12 years |
vondreele |
allow more than one phase for calibration
fix temperature reading from …
|
|
|
|
@281
|
12 years |
vondreele |
implement reusable GSAS-II image files that can be read into a new …
|
|
|
|
@273
|
12 years |
vondreele |
output of S(Q) and G(R) as files for other use
some effort to fix …
|
|
|
|
@267
|
12 years |
vondreele |
removed azm rotation - didn't work
fix azimuthal polarization
|
|
|
|
@265
|
12 years |
vondreele |
further progress on implementing pdf calculations
optionally put …
|
|
|
|
