|
|
|
@3027
|
6 years |
odonnell |
no wx dependency for export
|
|
|
|
@3026
|
6 years |
odonnell |
add uiso setter
|
|
|
|
@3025
|
6 years |
toby |
work on installation issues
|
|
|
|
@3024
|
6 years |
toby |
fix DisAgl? problem in CIF export
|
|
|
|
@3023
|
6 years |
odonnell |
remove wx dependency for GSASIIscriptable
|
|
|
|
@3022
|
6 years |
odonnell |
new pId/hId setters, factor out hist/phase linking code
|
|
|
|
@3019
|
6 years |
odonnell |
fixed error in refactoring
|
|
|
|
@3018
|
6 years |
toby |
put user-defined seq ref var labels into table
|
|
|
|
@3017
|
6 years |
toby |
change reading of "Chess" (Pilatus?) detector to uint32 to avoid …
|
|
|
|
@3016
|
6 years |
odonnell |
WIP
|
|
|
|
@3015
|
6 years |
odonnell |
refactor do_refinements
|
|
|
|
@3014
|
6 years |
toby |
correct evaluation of cell parameters for use in pseudo variables
|
|
|
|
@3013
|
6 years |
toby |
Masks: fix drag bug, set spot size; fix windows positioning
|
|
|
|
@3012
|
6 years |
odonnell |
Switch GSASIIscriptable.py to argparse, fixed bug with .instprm files
|
|
|
|
@3011
|
6 years |
odonnell |
CIF export. changelist:
* Start using argparse module in …
|
|
|
|
@3010
|
6 years |
vondreele |
work on colors for PWDR plots - picked PWDR is now always same colors …
|
|
|
|
@3009
|
6 years |
odonnell |
more documentation changes, removed (phase|histogram)_names, add occupancy
|
|
|
|
@3008
|
6 years |
vondreele |
remove print "no phases found..."
use contour colors for powder …
|
|
|
|
@3007
|
6 years |
odonnell |
G2Project.refine does not back up, refactored phase/histogram access, …
|
|
|
|
@3006
|
6 years |
vondreele |
|
|
|
|
@3005
|
6 years |
vondreele |
fix multiprocess for getProfileDerivMP - useMP=False
|
|
|
|
@3004
|
6 years |
toby |
Add multiprocessing for derivatives, but commented out
|
|
|
|
@3003
|
6 years |
vondreele |
more development of protein validation - still not correct
substitute …
|
|
|
|
@3001
|
6 years |
toby |
remove 2frame ref from Help menu
|
|
|
|
@3000
|
6 years |
toby |
make the two frame version the trunk as we hit version 3000
|
|
|
|
@2951
|
6 years |
toby |
Make directory for all binaries
|
|
|
|
@2936
|
6 years |
toby |
bail out when bin lookup fails
|
|
|
|
@2926
|
6 years |
toby |
fix import & switch msg
|
|
|
|
@2925
|
6 years |
toby |
add switch to 2frame; allow for latest G2path
|
|
|
|
@2904
|
6 years |
toby |
try to fix Docs build
|
|
|
|
@2903
|
6 years |
toby |
try to fix Docs build
|
|
|
|
@2902
|
6 years |
toby |
try to fix Docs build
|
|
|
|
@2901
|
6 years |
toby |
try to fix Docs build
|
|
|
|
@2897
|
6 years |
toby |
fix full CIF export bug
|
|
|
|
@2894
|
6 years |
toby |
speed derivative computation; add commented timing code
|
|
|
|
@2889
|
6 years |
vondreele |
a fix to gltext - some bug in pyopengl 3.1.1a1 gives errors but …
|
|
|
|
@2887
|
6 years |
toby |
setup & use bindist location for downloaded binaries
|
|
|
|
@2886
|
6 years |
toby |
make location for downloaded binary
|
|
|
|
@2881
|
6 years |
toby |
Set tickmark colors for phases the same for all powder histograms
|
|
|
|
@2880
|
6 years |
toby |
Fix copy flags for non-isotropic size/strain models
|
|
|
|
@2879
|
6 years |
toby |
Seq. Ref.: fix tickmarks on plot; single click on hist in table plots it
|
|
|
|
@2878
|
6 years |
toby |
add Yield for seq ref plotting
|
|
|
|
@2877
|
6 years |
toby |
Plot each histogram after fitting in a sequential refinement
|
|
|
|
@2876
|
6 years |
toby |
allow variables to change during seq. ref.; fix error w/unused phases
|
|
|
|
@2875
|
6 years |
toby |
Allow space group entry by number; move SGMessageBox to GSASIIctrls
|
|
|
|
@2874
|
6 years |
toby |
Sequential refinement fixes where # of phases change
|
|
|
|
@2873
|
6 years |
toby |
more fixes & cleanup for phase/data window
|
|
|
|
@2872
|
6 years |
toby |
include only added histograms in Phase/Data? operations
|
|
|
|
@2871
|
6 years |
vondreele |
change ContourColor? default back to Paired even if it is 12 color …
|
|
|
|
@2870
|
6 years |
toby |
Allow hiding of columns in Seq Table
|
|
|
|
@2869
|
6 years |
toby |
change color on Seq parm fit plot
|
|
|
|
@2868
|
6 years |
toby |
fix bug in Expr Edit; add math import (should not be needed, but will …
|
|
|
|
@2867
|
6 years |
toby |
fix sequential exports
|
|
|
|
@2865
|
6 years |
vondreele |
fix problem with contour color preference setting
|
|
|
|
@2864
|
6 years |
vondreele |
new delete hist
|
|
|
|
@2863
|
6 years |
vondreele |
extend contour color selection to include reversed ones (doubles the …
|
|
|
|
@2862
|
6 years |
vondreele |
comment out GetFobsSq? from errRefine - should save time recalculating …
|
|
|
|
@2860
|
6 years |
vondreele |
a bit more of protein validation
|
|
|
|
@2859
|
6 years |
vondreele |
partial implementation of protein check function - not done yet
|
|
|
|
@2858
|
6 years |
vondreele |
fix Pawley restraint problem
force skip of disordered residues in pdb …
|
|
|
|
@2857
|
6 years |
toby |
fix missing cell parms in Seq Ref. table (when not starting with 1st …
|
|
|
|
@2856
|
6 years |
vondreele |
fix bug in drawatom add via "sphere" enclosure
|
|
|
|
@2854
|
6 years |
vondreele |
implement Hessian SVD refinement option (no Levenberg-Marquardt). …
|
|
|
|
@2853
|
6 years |
vondreele |
remove a 'exposed' test print statement
add a print of SVD zeros …
|
|
|
|
@2852
|
6 years |
toby |
cleanup GSASIIpath to only load one bin directory into path and to …
|
|
|
|
@2851
|
6 years |
toby |
more for arrow keys; do not understand how this windows code works, …
|
|
|
|
@2850
|
6 years |
toby |
fix arrow key data tree traversal on Mac
|
|
|
|
@2849
|
6 years |
vondreele |
change TOF instrument Calibration weighting
|
|
|
|
@2848
|
6 years |
vondreele |
add polyhedron drawing for stacking layers
|
|
|
|
@2847
|
6 years |
vondreele |
turn off debug in TIF reader
provide better(?) trap for LinAlgErrors? …
|
|
|
|
@2846
|
6 years |
vondreele |
implement SVD inversion (Moore Penrose invert routine) in Hessian LSQ …
|
|
|
|
@2845
|
6 years |
toby |
fix for readthedocs (import without full set of packages
|
|
|
|
@2844
|
6 years |
toby |
fix for readthedocs (import without full set of packages
|
|
|
|
@2843
|
6 years |
vondreele |
fix focus issues from lists of histograms in tree
|
|
|
|
@2842
|
6 years |
toby |
cleanups: crash in show LS params; show constraint vars; set filters …
|
|
|
|
@2841
|
6 years |
vondreele |
fix DData & RBmodel selection tables to allow use of up/down arrows - …
|
|
|
|
@2840
|
6 years |
vondreele |
fix PDB importer & reimport atoms
rework RB GUI - now shows just one …
|
|
|
|
@2839
|
6 years |
vondreele |
fix numpy divide issues inquaternions
|
|
|
|
@2838
|
6 years |
vondreele |
add a bit of printing to LS & show no. of penalty fxns
|
|
|
|
@2837
|
6 years |
vondreele |
fix aniso Uij derivatives - were messing up Uii on trig/hex 3-fold axes
|
|
|
|
@2836
|
6 years |
vondreele |
fixes to scripts & fxye importer
|
|
|
|
@2835
|
6 years |
vondreele |
add self.scriptable=False to ImportBaseClass?
set it True in various …
|
|
|
|
@2834
|
6 years |
vondreele |
fix bug on display of Texture fit error
|
|
|
|
@2833
|
6 years |
toby |
documentation updates
|
|
|
|
@2832
|
6 years |
toby |
documentation updates
|
|
|
|
@2831
|
6 years |
vondreele |
fix to put azm on Sample Azimuth for PWDR data
|
|
|
|
@2830
|
6 years |
vondreele |
fix read errors for HIPPO data
|
|
|
|
@2829
|
6 years |
vondreele |
update tif reader ti include 4 different versions of LCLS tif images
|
|
|
|
@2828
|
6 years |
vondreele |
make delt-d column to hydrostatic mustrain in seq 2D strain fit table
|
|
|
|
@2827
|
6 years |
vondreele |
add delt-d to 2D strain seq. results table
|
|
|
|
@2826
|
6 years |
vondreele |
add covariances to sequential strain ring fit results
|
|
|
|
@2825
|
6 years |
vondreele |
remove two prints from GSASIIscriptable.py
fix seq results bug for …
|
|
|
|
@2824
|
6 years |
vondreele |
fix 2D strain d-zero calc
set Refine dlg=None default for easier …
|
|
|
|
@2823
|
6 years |
vondreele |
implement hold flag for dzero adjustment in 2D strain fitting
|
|
|
|
@2822
|
6 years |
vondreele |
provide comments for GSASIIscriptable.py
|
|
|
|
@2821
|
6 years |
vondreele |
revisions to GSASIIscriptable - now works for reading PWDR data
|
|
|
|
@2820
|
6 years |
vondreele |
PWDR import now scriptable for single bank patterns
|
|
|
|
@2819
|
6 years |
vondreele |
fix printing of nonascii characters (e.g. "umlaut-o") in file names, …
|
|
|
|
@2818
|
6 years |
vondreele |
add GetPhaseNames?(fl) to G2obj - uses opened gpx file
fix …
|
|
|
|
@2817
|
6 years |
vondreele |
major revision - move all importers to GSASIIobj & make them …
|
|
|
|
