|
|
|
@5354
|
11 months |
vondreele |
remove "magnetic" O atom from possible magnetic ion lists from …
|
|
|
|
@5352
|
11 months |
toby |
add ability to merge chem and magnetic phases in a quick CIF
|
|
|
|
@5343
|
12 months |
vondreele |
fix issue with TOF data in getPawleydRange & remove an obviously not …
|
|
|
|
@5341
|
12 months |
toby |
Pawley work: force dmin & max to be in range of data (now shown); show …
|
|
|
|
@5328
|
13 months |
toby |
fullrmc new paper update
|
|
|
|
@5320
|
13 months |
toby |
more fullrmc work (all but swaps done?); misc docs fixes
|
|
|
|
@5317
|
14 months |
toby |
fullrmc updates
|
|
|
|
@5313
|
14 months |
toby |
bypass RMCprofile ionic species bug; start on rigid body fullrmc …
|
|
|
|
@5306
|
15 months |
toby |
collect atoms & fullrmc fixes
|
|
|
|
@5288
|
16 months |
toby |
add routines to install gsl and/or diffpy.pdffit2, possibly in a …
|
|
|
|
@5285
|
16 months |
toby |
multiple PDFfit2 changes; seems to work well on Windows w/3.7, 3.8 & 3.9
|
|
|
|
@5278
|
17 months |
toby |
pdffit2 binary split from .py files; works on Mac
|
|
|
|
@5272
|
17 months |
toby |
fix Pawley guidance & some html bookmarks
|
|
|
|
@5269
|
17 months |
toby |
add config var for pdffit2 and show err message
|
|
|
|
@5257
|
18 months |
vondreele |
Add '?' to various places & all connect to help pages with text filled …
|
|
|
|
@5250
|
18 months |
toby |
fixes for wx4.1; cleanup for Rigid Body GUI
|
|
|
|
@5248
|
18 months |
vondreele |
'?' help button for Pawley reflection tab
|
|
|
|
@5247
|
18 months |
vondreele |
add missing file close in G2pwd MEMupdateReflData
change in G2plots …
|
|
|
|
@5244
|
18 months |
vondreele |
change check box to button
more edits for gsasII-phase.html
|
|
|
|
@5238
|
19 months |
toby |
similar warning for Pawley not set up
|
|
|
|
@5237
|
19 months |
toby |
Add message for misuse of texture
|
|
|
|
@5220
|
19 months |
vondreele |
Minor correction to PDFfit initialization stuff in G2phsGUI
|
|
|
|
@5218
|
19 months |
vondreele |
fix copy issues in TransformDialog? so that new phase is independent of …
|
|
|
|
@5214
|
19 months |
vondreele |
yet another fi to seq PDFfit - fix tabulation error
|
|
|
|
@5210
|
19 months |
vondreele |
add more to bad copy error for instrument parameters
fixes to seq. PDFfit
|
|
|
|
@5206
|
19 months |
vondreele |
one more fix to seq. PDFfit
|
|
|
|
@5205
|
19 months |
vondreele |
more fixes to pdffit & sequential PDFfit - now working
|
|
|
|
@5203
|
19 months |
vondreele |
fix 'Type' bug in getBackground for stacking fault simulations
add new …
|
|
|
|
@5197
|
19 months |
vondreele |
introduce 4 PDFfit tutorials to GSAS-II
some fixes driven by tutorial …
|
|
|
|
@5193
|
19 months |
vondreele |
fix q-plot reflection marker bug
|
|
|
|
@5188
|
19 months |
vondreele |
fix G2pwd.UpdatePDFfit to correctly update data set variables (dscale, …
|
|
|
|
@5183
|
19 months |
vondreele |
Add a list of atoms moved by each ISO mode
|
|
|
|
@5166
|
20 months |
vondreele |
implement ISODISTORT displacement mode parameters for PDFfit
limited …
|
|
|
|
@5163
|
20 months |
vondreele |
implement structure drawing that follows changes from sequential PDFfits
|
|
|
|
@5162
|
20 months |
vondreele |
add an "Are you sure" to the save distortion mode values button
fix …
|
|
|
|
@5161
|
20 months |
vondreele |
cleanup constraint display - remove excessive wx.RIGHT,wx.LEFT, etc. - …
|
|
|
|
@5158
|
20 months |
vondreele |
correct keys for sequential PDFfit refinements - now all int
|
|
|
|
@5157
|
20 months |
toby |
clean up ISODISTORT GUI and add ne buttons
|
|
|
|
@5152
|
20 months |
vondreele |
fix RMC GUI options for PDFfit
fix background Bragg peak fits for EDX data
|
|
|
|
@5147
|
20 months |
vondreele |
Add new routine to G2lat - AplusDij? & use it in a couple of places
add …
|
|
|
|
@5146
|
20 months |
toby |
fix slider
|
|
|
|
@5144
|
21 months |
vondreele |
G2pwd - close file left unclosed (fqdata)
skip generating …
|
|
|
|
@5139
|
21 months |
vondreele |
further fixes for putting Type in the DData entry.
|
|
|
|
@5137
|
21 months |
vondreele |
fix to constraint delete function - order of delete list must be …
|
|
|
|
@5130
|
21 months |
vondreele |
revise ISODISTORT operation - now uses Method 4 by default.
Revise …
|
|
|
|
@5123
|
21 months |
toby |
1st pass at fixing Mogul imports
|
|
|
|
@5122
|
21 months |
toby |
start on fullrmc mods; wx4.1 fix; address wx.Point with float args warning
|
|
|
|
@5117
|
21 months |
vondreele |
complete implementation of EDX data in GSAS-II; will do LeBail? or …
|
|
|
|
@5116
|
21 months |
vondreele |
fixes to EDX calcs for LeBail?; start on Pawley for EDX.
|
|
|
|
@5114
|
21 months |
vondreele |
various fixes for EDX data fitting by LeBail?
various fixes for SAD …
|
|
|
|
@5112
|
22 months |
vondreele |
implement energy dispersive x-ray data as a new type 'PXE'; assume …
|
|
|
|
@5111
|
22 months |
toby |
fixed new minor errors
|
|
|
|
@5108
|
22 months |
vondreele |
Add tests to transformation matrix in TransformDialog?; returns None if bad.
|
|
|
|
@5106
|
22 months |
vondreele |
modifications to handle sequential PDFfit analysis & plot the results. …
|
|
|
|
@5097
|
22 months |
vondreele |
Add message for when PDFfit2 is missing or unavailable.
|
|
|
|
@5096
|
22 months |
vondreele |
add stripped down windows version (no Tests) of diffpy to GSAS-II …
|
|
|
|
@5094
|
22 months |
vondreele |
fix issues in export MTZ. Make F as default (instead of F2)
|
|
|
|
@5090
|
23 months |
vondreele |
add MTZ exporter for both F2 and F options. The F style MTZ file can …
|
|
|
|
@5075
|
23 months |
vondreele |
finish 1st attempt at GSAS-II to PDFfit interface - it seems to work.
|
|
|
|
@5072
|
23 months |
toby |
cleanup indexing of phases/hists
|
|
|
|
@5071
|
23 months |
vondreele |
Add 'Temp' to PDF controls - needed for future se. PDFfit
fix bugs in …
|
|
|
|
@5070
|
23 months |
toby |
ISO: add show mode defs; create CIF for ISO calc; remove ISO calc from …
|
|
|
|
@5068
|
23 months |
toby |
add Run ISODISTORT to menu for ISODISTORT tab; allow it to be rerun
|
|
|
|
@5067
|
23 months |
toby |
ISODISTORT mode/displacement fixes; allow indexing of all Phases where …
|
|
|
|
@5066
|
23 months |
vondreele |
fixes to RMCProfile stuff to accomodate creation of vacancies in …
|
|
|
|
@5065
|
23 months |
vondreele |
remove check on Histograms & Phases in beginning of UpdateConstraints? …
|
|
|
|
@5064
|
23 months |
vondreele |
|
|
|
|
@5063
|
23 months |
toby |
Start on isodisplace import cleanup & formatting; plotting changes for …
|
|
|
|
@5062
|
23 months |
toby |
Start on isodisplace import cleanup & formatting; plotting changes for …
|
|
|
|
@5061
|
23 months |
vondreele |
remove misused WACV in ISODISTORT stuff
|
|
|
|
@5060
|
2 years |
vondreele |
finish drawing of distortion modes as user adjusted.
|
|
|
|
@5059
|
2 years |
vondreele |
patch for missing metadata for PDFfit
fix (again) the Va_ neutron …
|
|
|
|
@5058
|
2 years |
vondreele |
provide sliders for mode displacements - not connected yet
|
|
|
|
@5057
|
2 years |
vondreele |
cleanup ISODISTORT references in constraints & its phase tab …
|
|
|
|
@5056
|
2 years |
vondreele |
add message boxes to ISODISTORT stuff
|
|
|
|
@5054
|
2 years |
vondreele |
place run ISODISTORT in General/Compute? menu
Create interface to …
|
|
|
|
@5050
|
2 years |
vondreele |
further progress on PDFfit interface
fix formats in RMCProfile setup.
|
|
|
|
@5049
|
2 years |
vondreele |
split the mainSizer in UpdateRMC into 3 sub sizers: …
|
|
|
|
@5045
|
2 years |
vondreele |
Add plotting of results after a PDFfit run.
|
|
|
|
@5043
|
2 years |
vondreele |
Add ISODISTORT menu option to RMC menu; active only for PDFfit (under …
|
|
|
|
@5042
|
2 years |
toby |
implement sequential CIF export; minor CIF bug fixes; add su to seq …
|
|
|
|
@5041
|
2 years |
vondreele |
begin to add PDFfit to RMC stuff
|
|
|
|
@5037
|
2 years |
vondreele |
add use GPU option for running RMCProfile
remove scrolled sub panels …
|
|
|
|
@5029
|
2 years |
vondreele |
upper limit on crystallite size = 10 (it was 4)
consolidate import …
|
|
|
|
@4998
|
2 years |
toby |
partial fix of magnetic constraints (still need to deal w/unvaried …
|
|
|
|
@4997
|
2 years |
vondreele |
move imports to top of G2ctrlGUi code so debugger can find it
fix …
|
|
|
|
@4992
|
2 years |
vondreele |
some incomm. mag. str changes
fix BondRadii? issue in structure drawing …
|
|
|
|
@4988
|
2 years |
vondreele |
minor fixes to Plot Control GUI
|
|
|
|
@4986
|
2 years |
vondreele |
change slider controls for Plot Controls - add editable value field.
|
|
|
|
@4979
|
2 years |
vondreele |
add new function UpdateSelection?() to G2TreeCtrl, used it in a few …
|
|
|
|
@4978
|
2 years |
vondreele |
fix to UpdateHKLFdata to include sg extinct flag for each reflection
|
|
|
|
@4974
|
2 years |
vondreele |
fix single crystal merge routines (missing Instrument Parameters)
add …
|
|
|
|
@4968
|
2 years |
toby |
finish hist/phase tree entry; create new help file for it(incomplete)
|
|
|
|
@4967
|
2 years |
vondreele |
rearrange atom editing menus
|
|
|
|
@4965
|
2 years |
toby |
start work on option to move Phase/Data? to 1st level in tree
|
|
|
|
@4964
|
2 years |
toby |
divide up help into a few files
|
|
|
|
@4954
|
2 years |
toby |
minor fullrmc improvements from Bachir, etc.
|
|
|
|
@4951
|
2 years |
toby |
working fullrmc implementation. Much more to do (see TODO in phsGUI), …
|
|
|
|
@4916
|
2 years |
toby |
fix Map OnPeaksMove? bug
|
|
|
|
@4914
|
2 years |
toby |
ignore & highlight bad General Restraints; minor GUI fixes
|
|
|
|
