|
|
@4429
|
4 years |
toby |
not that change yet
|
|
|
@4428
|
4 years |
toby |
minor RB stuff in prep for new add RB code
|
|
|
@4421
|
4 years |
toby |
add R.B. extractor; misc doc updates; plt bug after strip Hs; grid …
|
|
|
@4412
|
4 years |
toby |
update tree item display after delete data tree entry
|
|
|
@4410
|
4 years |
toby |
do much more cleanup after phase delete; refactor some importer …
|
|
|
@4406
|
4 years |
toby |
don't allow used PWDR or HKLF histograms to be deleted
|
|
|
@4400
|
4 years |
vondreele |
add rigid body save to make new pdb file with properly named atoms - …
|
|
|
@4399
|
4 years |
toby |
major refactoring & corrections to ISODISTORT mode import and computations
|
|
|
@4396
|
4 years |
toby |
improve end-of-life message, add tools to run bash/bat scripts outside …
|
|
|
@4389
|
4 years |
vondreele |
adding fullrmc View & Execute methods. Still to do Setup.
Replace …
|
|
|
@4379
|
4 years |
toby |
fix isodistort constraint processing
|
|
|
@4377
|
4 years |
vondreele |
Add end-of-life warning for python 2.7
small fix for mag str. fctr calc
|
|
|
@4375
|
4 years |
vondreele |
try to rationalize plot & data window behavior - put data window on …
|
|
|
@4369
|
4 years |
vondreele |
new menu item in main menu Data/Delete? plots - allows deleting …
|
|
|
@4360
|
4 years |
toby |
change load-gpx dialog to match exit and start new project
|
|
|
@4352
|
4 years |
toby |
expand proxy GUI for more lines
|
|
|
@4346
|
4 years |
toby |
implement additional proxy access (documented in …
|
|
|
@4334
|
4 years |
vondreele |
make new f(q) & g(r) files suitable for RMCProfile. The g(r) == PDF. …
|
|
|
@4333
|
4 years |
vondreele |
work on spot masking; change some text, menu names, etc.
Add menu item …
|
|
|
@4317
|
4 years |
vondreele |
make esd multiplier for spot mask search a float
add timing to it
|
|
|
@4314
|
4 years |
vondreele |
|
|
|
@4301
|
4 years |
toby |
initialize SpotMask? for image import
|
|
|
@4292
|
4 years |
vondreele |
disable Compare unless phase is P 1.
|
|
|
@4291
|
4 years |
vondreele |
new tool in Phase/General? - Compare: compares (P 1 only) structures to …
|
|
|
@4289
|
4 years |
vondreele |
start on 'Compare' for comparison of bonding polyhedra between phases …
|
|
|
@4270
|
4 years |
vondreele |
set default directories to G2frame.LastGPXdir or result from …
|
|
|
@4249
|
4 years |
toby |
fix bug version in PIL/pillow
|
|
|
@4238
|
4 years |
toby |
more install fixes: add error message
|
|
|
@4236
|
4 years |
vondreele |
remove dependence on fullrmc existing
rearrange RMC options
fixes to …
|
|
|
@4223
|
4 years |
vondreele |
trap the C++ error on getting a tree item
|
|
|
@4213
|
4 years |
toby |
multiple small changes to allow docs build under 3.x
|
|
|
@4201
|
4 years |
vondreele |
add new chebyschev-1 background function; matches that from old gsas. …
|
|
|
@4200
|
4 years |
vondreele |
Add visualization of RMCProfile results, i.e. G(R), S(Q), partials, …
|
|
|
@4198
|
4 years |
toby |
doc improvements; new scripting options (rev. sequential & set …
|
|
|
@4195
|
4 years |
vondreele |
add a find utility to GSASIIfiles for finding a file within a …
|
|
|
@4192
|
4 years |
vondreele |
fix OnFileReopen?; broke when some file were deleted beforehand
Some …
|
|
|
@4191
|
4 years |
vondreele |
put in dummy phase tab & menu for fullrmc
partial implementation of …
|
|
|
@4187
|
4 years |
toby |
Add dummy flag for scripted simulations; fix command line file read on Mac
|
|
|
@4186
|
4 years |
vondreele |
replace 'next' (reserved word) with 'prev' in OnGPXKetDown
|
|
|
@4168
|
4 years |
vondreele |
also put 2nd setting warning upon import
|
|
|
@4154
|
4 years |
toby |
allow open of multiple GPX files on Mac
|
|
|
@4151
|
4 years |
vondreele |
More mag.
remove "not found" files from Reopen recent list - distraction
|
|
|
@4148
|
4 years |
toby |
refactor to create wx app before anything else gets done
|
|
|
@4136
|
4 years |
toby |
fix cancel in refine dialog, tested w/wx2.8,3.0 & 4.0
|
|
|
@4118
|
4 years |
vondreele |
new import routine for Rigaku powder data .ras files
|
|
|
@4115
|
4 years |
vondreele |
fix math error in making esd on d-spacing in exported single peak fit …
|
|
|
@4110
|
4 years |
vondreele |
fix main & plot saved size issue
|
|
|
@4108
|
4 years |
toby |
add plotting of rings & ring picks; load parms into each image
|
|
|
@4104
|
4 years |
toby |
new mode for combined fit of wavelength to a set of images
|
|
|
@4103
|
4 years |
vondreele |
get Pair distribution plot if available when selected
reorder SHAPES …
|
|
|
@4102
|
4 years |
vondreele |
add transfer of flat background to images corrected for 1/dist2 …
|
|
|
@4100
|
4 years |
toby |
seq. ref bugs: correct use flag in avg calc; if selected X var is no …
|
|
|
@4095
|
4 years |
vondreele |
improve dmax estimation - use proper selected weights
ditto P(R) …
|
|
|
@4093
|
4 years |
toby |
more work on menu hot keys & ask to save on exit
|
|
|
@4087
|
4 years |
toby |
Fix Andrey's bug: remove cell parms for unused phases in seq res table
|
|
|
@4085
|
4 years |
toby |
Add menu accelerator keys & recently used menu
|
|
|
@4075
|
4 years |
vondreele |
fixes to import old (e.g. HIPD) TOF date from fxye
|
|
|
@4073
|
4 years |
vondreele |
minor typos & allow import PDB to read no unit cell dummy PDBs from …
|
|
|
@4063
|
4 years |
vondreele |
fix triclinic indexing
change "Load cell from phase" to "Load Phase"
|
|
|
@4060
|
4 years |
toby |
Work on Index Unit Cell display: narrower, allow dragging limits, add …
|
|
|
@4046
|
4 years |
toby |
remove histograms that are not added to a phse from the Seq Ref …
|
|
|
@4045
|
4 years |
toby |
add autoread of G(r)
|
|
|
@4040
|
4 years |
vondreele |
put rigid body Xsizers & Osizers into a dict in G2frame to keep them …
|
|
|
@4038
|
4 years |
vondreele |
set no. cycles to zero for simulated data.
|
|
|
@4036
|
4 years |
toby |
add PWDR autoload
|
|
|
@4032
|
4 years |
vondreele |
fix 'Resolution' in old gpx to 'GridStep?'
fix to bad logical operator …
|
|
|
@4031
|
4 years |
toby |
introduce external autoInt
|
|
|
@4030
|
4 years |
vondreele |
fix defaults for ka1-Ka2 powder data to be Bragg-Brentano for both GUI …
|
|
|
@4021
|
4 years |
toby |
implement filter for screen messages; start to replace print() with …
|
|
|
@4015
|
5 years |
toby |
add setHAPvalues to scriptable; disable import G(r) because broken
|
|
|
@4003
|
5 years |
toby |
fix subtle bug in plotCovar where cursor showed only initial vals; add …
|
|
|
@4001
|
5 years |
toby |
add SeqRes? section to scriptable; minor docs cleanup; show cell even …
|
|
|
@3999
|
5 years |
toby |
reorg PDF computation/save as non-GUI code, add PDF to scriptable, doc …
|
|
|
@3995
|
5 years |
vondreele |
Add save of indexed peaks to csv file
fix neutron bugs in MEM Dysnomia code
|
|
|
@3990
|
5 years |
vondreele |
MEM Dysnomia now works but can be uncontrolled. No feedback into …
|
|
|
@3982
|
5 years |
vondreele |
begin work on MEM interface to Dysnomia
Change fourier/cf "Resolution" …
|
|
|
@3980
|
5 years |
toby |
fix misc PDF issues
|
|
|
@3973
|
5 years |
toby |
Load all fix; doc updates
|
|
|
@3967
|
5 years |
vondreele |
embed fprime & absorb plots in GSAS-II plot window as separate tabs. …
|
|
|
@3962
|
5 years |
toby |
rework updating of plots after a refinement
|
|
|
@3932
|
5 years |
vondreele |
Another fix for PatternId? = 0
|
|
|
@3926
|
5 years |
toby |
bugfix for plot updates: conflict for single xtal
|
|
|
@3913
|
5 years |
toby |
Update Rietveld cycle-by-cycle
|
|
|
@3909
|
5 years |
vondreele |
Add new menu item to Map Peaks - Invert peak position; inverts map and …
|
|
|
@3898
|
5 years |
toby |
Add manual scaling of plots, allow changes to plot labels size etc, & …
|
|
|
@3878
|
5 years |
toby |
fix problems due to addition of column to SeqRes? table
|
|
|
@3872
|
5 years |
toby |
fix seq. listing w/empty cols; add column selection when not selected …
|
|
|
@3867
|
5 years |
vondreele |
modulated mag moments now ok; not sf calc
|
|
|
@3863
|
5 years |
vondreele |
Fix sequential results save routines per suggestion by Ivo Alxneit
|
|
|
@3862
|
5 years |
vondreele |
Add column to sequential results table - number (0-nRows). Makes …
|
|
|
@3860
|
5 years |
toby |
warn but continue when histogram in phase list but not in tree
|
|
|
@3859
|
5 years |
toby |
Use Dij values for SeqRef? table even if not varied
|
|
|
@3855
|
5 years |
toby |
major speed up with very big sequential fits
|
|
|
@3848
|
5 years |
vondreele |
since id is a python routine which could be useful in debugging, …
|
|
|
@3828
|
5 years |
toby |
fix cif export w/unused histogram; switch 3.x imports to pickle w/warn …
|
|
|
@3826
|
5 years |
vondreele |
fix future problem with wx.NewId? --> wx.NewIdRef?
|
|
|
@3825
|
5 years |
vondreele |
create csv exporter for small angle data - includes size distribution …
|
|
|
@3814
|
5 years |
toby |
refactor to move some IO-only routines; add initial image support to …
|
|
|
@3807
|
5 years |
toby |
warn on numpy 1.16.0
|
|
|
@3806
|
5 years |
toby |
redo parameter lookup to provide numerical deriv step size (see …
|
|
|