|
|
@3080
|
6 years |
vondreele |
openGL fix for linux systems
|
|
|
@3079
|
6 years |
vondreele |
implement rigid body reference vectors
|
|
|
@3077
|
6 years |
toby |
fix bug on svn check
|
|
|
@3076
|
6 years |
vondreele |
fix multiplot coloring to cover color range of G2frame.ContourColor?
|
|
|
@3075
|
6 years |
toby |
Allow editing of proxy info
|
|
|
@3070
|
6 years |
vondreele |
implement use of background pattern for PWDR data.
Used for plot & …
|
|
|
@3069
|
6 years |
odonnell |
phase and histogram access works without G2obj
|
|
|
@3068
|
6 years |
vondreele |
fix parameter display to show nan (crashed before)
trap with error if …
|
|
|
@3067
|
6 years |
odonnell |
Remove some index_id calls
|
|
|
@3066
|
6 years |
vondreele |
cosmetic
|
|
|
@3065
|
6 years |
toby |
fix error introduced by variable sorting
|
|
|
@3063
|
6 years |
vondreele |
improve auto peak search - tuning both lower limit & overlap rejection
|
|
|
@3062
|
6 years |
vondreele |
make minF/sig floating pt by default
|
|
|
@3061
|
6 years |
toby |
sort variable names
|
|
|
@3058
|
6 years |
vondreele |
fix name problem in G2dataGUI; replace GetItemPyData? with GetItemText? …
|
|
|
@3057
|
6 years |
toby |
more work on constraints: prevent use of perviously constrained …
|
|
|
@3056
|
6 years |
toby |
expand error reporting with constraints (no fixes yet to prevent them)
|
|
|
@3054
|
6 years |
vondreele |
fixes to MCSA gui routines; trap <3 atom RBs
fix missing AtLookup? …
|
|
|
@3053
|
6 years |
vondreele |
read multiple scans in a Panalytical xrdml file
|
|
|
@3052
|
6 years |
vondreele |
fix Panalytical import to read summed data
|
|
|
@3051
|
6 years |
vondreele |
modify text for Contour_color
|
|
|
@3049
|
6 years |
toby |
reset InitMP after SelectConfigSetting?.OnApplyChanges? to allow number …
|
|
|
@3048
|
6 years |
vondreele |
remove item from config_example.py
fix bug in FindAtomsDraw?
implement …
|
|
|
@3046
|
6 years |
toby |
label user-supplied & code-generated equivalences (constraints); …
|
|
|
@3045
|
6 years |
vondreele |
plot both protein vlidators (#2 still in erroe)
remove config value …
|
|
|
@3044
|
6 years |
vondreele |
remove local basinhopping
|
|
|
@3043
|
6 years |
vondreele |
comment block blunder fixed
|
|
|
@3042
|
6 years |
vondreele |
add scipy license to basinhopping
MCSA plot bug fix
|
|
|
@3041
|
6 years |
toby |
Fully implement multiprocessing on reflection loops, but currently …
|
|
|
@3039
|
6 years |
vondreele |
fixes to 2D strain fitting & remove no longer used code
|
|
|
@3038
|
6 years |
vondreele |
fix sequential 2D stress/strain fitting
|
|
|
@3037
|
6 years |
vondreele |
remove a stray status text()
get rid of wx.EXPAND for Sample …
|
|
|
@3035
|
6 years |
vondreele |
fix another umlaut problem
|
|
|
@3034
|
6 years |
vondreele |
remove 'u' from file name extension use. See what happens with …
|
|
|
@3033
|
6 years |
vondreele |
fixes to protein validate, "old" works; not "old" close but not perfect
|
|
|
@3030
|
6 years |
vondreele |
make protein validation work with old (works) and new (doesn't work) …
|
|
|
@3029
|
6 years |
vondreele |
implement correctly errat for protein validation; erratv2 not right
|
|
|
@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). …
|
|
|