|
|
|
@5130
|
15 months |
vondreele |
revise ISODISTORT operation - now uses Method 4 by default.
Revise …
|
|
|
|
@5129
|
15 months |
toby |
Raspbian-64 (bullseye) build & fixes
|
|
|
|
@5128
|
15 months |
toby |
include s.u. for all atom parameters
|
|
|
|
@5127
|
15 months |
toby |
misc CIF fixes (init block name; stop save of default template file name)
|
|
|
|
@5125
|
15 months |
toby |
successful Raspberry Pi install
|
|
|
|
@5124
|
15 months |
vondreele |
Fix problem of computing Bragg peak background function with irregular …
|
|
|
|
@5123
|
15 months |
toby |
1st pass at fixing Mogul imports
|
|
|
|
@5122
|
15 months |
toby |
start on fullrmc mods; wx4.1 fix; address wx.Point with float args warning
|
|
|
|
@5120
|
15 months |
toby |
fix arrow keys for PlotPattern? in w mode
|
|
|
|
@5119
|
15 months |
toby |
fix (partial?) problems with reading short HM names in fulHM routine
|
|
|
|
@5118
|
15 months |
toby |
revisions for constraint processing & display
|
|
|
|
@5117
|
15 months |
vondreele |
complete implementation of EDX data in GSAS-II; will do LeBail? or …
|
|
|
|
@5116
|
15 months |
vondreele |
fixes to EDX calcs for LeBail?; start on Pawley for EDX.
|
|
|
|
@5115
|
15 months |
vondreele |
fix cif exporter
|
|
|
|
@5114
|
15 months |
vondreele |
various fixes for EDX data fitting by LeBail?
various fixes for SAD …
|
|
|
|
@5113
|
15 months |
vondreele |
set limits in PDF calcs to use the selected lower limit but ignore the …
|
|
|
|
@5112
|
15 months |
vondreele |
implement energy dispersive x-ray data as a new type 'PXE'; assume …
|
|
|
|
@5111
|
16 months |
toby |
fixed new minor errors
|
|
|
|
@5110
|
16 months |
toby |
constraint comments
|
|
|
|
@5109
|
16 months |
vondreele |
fix problems of multiphase structure drawings & bad geometries seen …
|
|
|
|
@5108
|
16 months |
vondreele |
Add tests to transformation matrix in TransformDialog?; returns None if bad.
|
|
|
|
@5107
|
16 months |
vondreele |
fix instrument parameter file prep for x-ray data in RMCProfile
|
|
|
|
@5106
|
16 months |
vondreele |
modifications to handle sequential PDFfit analysis & plot the results. …
|
|
|
|
@5105
|
16 months |
vondreele |
fix monoclinic b form for CellDijCorr? line 275; missing last zero.
|
|
|
|
@5104
|
16 months |
toby |
fix misc. sphinx-docs formatting
|
|
|
|
@5102
|
16 months |
toby |
note 2021 or later OriginPro? requirement
|
|
|
|
@5101
|
16 months |
vondreele |
fix typo in line 4435 Origin stuff
|
|
|
|
@5100
|
16 months |
toby |
make sure excludeMode is initialized
|
|
|
|
@5099
|
16 months |
toby |
fix: seq hist template now saved; delay file open
|
|
|
|
@5098
|
16 months |
toby |
correct additional of cell type in indexing
|
|
|
|
@5097
|
16 months |
vondreele |
Add message for when PDFfit2 is missing or unavailable.
|
|
|
|
@5096
|
16 months |
vondreele |
add stripped down windows version (no Tests) of diffpy to GSAS-II …
|
|
|
|
@5095
|
16 months |
vondreele |
fix RESO in export MTZ
|
|
|
|
@5094
|
16 months |
vondreele |
fix issues in export MTZ. Make F as default (instead of F2)
|
|
|
|
@5090
|
16 months |
vondreele |
add MTZ exporter for both F2 and F options. The F style MTZ file can …
|
|
|
|
@5086
|
16 months |
toby |
more mmCIF seqCIF work: export used hists, fix R-factor reporting, …
|
|
|
|
@5085
|
16 months |
toby |
more mmCIF fixes; combine Overall & Phase blocks where single-phase
|
|
|
|
@5084
|
16 months |
toby |
update PWDR help btn formatting; compute changes to peak values …
|
|
|
|
@5083
|
16 months |
toby |
fix scaling of ISODISTORT displacement modes so esds are correct; …
|
|
|
|
@5082
|
16 months |
toby |
fix scaling of ISODISTORT displacement modes so esds are correct; …
|
|
|
|
@5081
|
16 months |
toby |
mmCIF export: more atoms table tweaks
|
|
|
|
@5080
|
16 months |
toby |
mmCIF export: histogram info
|
|
|
|
@5079
|
17 months |
toby |
mmCIF export: more work on atoms table
|
|
|
|
@5078
|
17 months |
toby |
start on mmCIF export
|
|
|
|
@5077
|
17 months |
vondreele |
make all plot line widths in PlotPatterns? = 1.5. This looks best.
|
|
|
|
@5076
|
17 months |
vondreele |
powder plots are now '+' or lines; not combined for the obs data.
|
|
|
|
@5075
|
17 months |
vondreele |
finish 1st attempt at GSAS-II to PDFfit interface - it seems to work.
|
|
|
|
@5074
|
17 months |
toby |
allow older Python -- fixed
|
|
|
|
@5073
|
17 months |
toby |
allow older Python
|
|
|
|
@5072
|
17 months |
toby |
cleanup indexing of phases/hists
|
|
|
|
@5071
|
17 months |
vondreele |
Add 'Temp' to PDF controls - needed for future se. PDFfit
fix bugs in …
|
|
|
|
@5070
|
17 months |
toby |
ISO: add show mode defs; create CIF for ISO calc; remove ISO calc from …
|
|
|
|
@5069
|
17 months |
toby |
Make svn location a config option
|
|
|
|
@5068
|
17 months |
toby |
add Run ISODISTORT to menu for ISODISTORT tab; allow it to be rerun
|
|
|
|
@5067
|
17 months |
toby |
ISODISTORT mode/displacement fixes; allow indexing of all Phases where …
|
|
|
|
@5066
|
17 months |
vondreele |
fixes to RMCProfile stuff to accomodate creation of vacancies in …
|
|
|
|
@5065
|
17 months |
vondreele |
remove check on Histograms & Phases in beginning of UpdateConstraints? …
|
|
|
|
@5064
|
17 months |
vondreele |
|
|
|
|
@5063
|
17 months |
toby |
Start on isodisplace import cleanup & formatting; plotting changes for …
|
|
|
|
@5062
|
17 months |
toby |
Start on isodisplace import cleanup & formatting; plotting changes for …
|
|
|
|
@5061
|
17 months |
vondreele |
remove misused WACV in ISODISTORT stuff
|
|
|
|
@5060
|
17 months |
vondreele |
finish drawing of distortion modes as user adjusted.
|
|
|
|
@5059
|
17 months |
vondreele |
patch for missing metadata for PDFfit
fix (again) the Va_ neutron …
|
|
|
|
@5058
|
17 months |
vondreele |
provide sliders for mode displacements - not connected yet
|
|
|
|
@5057
|
17 months |
vondreele |
cleanup ISODISTORT references in constraints & its phase tab …
|
|
|
|
@5056
|
17 months |
vondreele |
add message boxes to ISODISTORT stuff
|
|
|
|
@5055
|
17 months |
vondreele |
Add 'Va' to blen table - already had 'Va_'
|
|
|
|
@5054
|
17 months |
vondreele |
place run ISODISTORT in General/Compute? menu
Create interface to …
|
|
|
|
@5052
|
17 months |
toby |
Update PSD model in FPA code/docs; minor changes in comments
|
|
|
|
@5051
|
17 months |
toby |
FPA help updates; misc minor fixes
|
|
|
|
@5050
|
17 months |
vondreele |
further progress on PDFfit interface
fix formats in RMCProfile setup.
|
|
|
|
@5049
|
17 months |
vondreele |
split the mainSizer in UpdateRMC into 3 sub sizers: …
|
|
|
|
@5048
|
17 months |
toby |
better formatting for PWDR windows and help
|
|
|
|
@5047
|
17 months |
toby |
CIF export fixes; work around for IsModified?() not showing changes
|
|
|
|
@5046
|
18 months |
toby |
suppress breakpoint() unless inside spyder or debug mode is set; …
|
|
|
|
@5045
|
18 months |
vondreele |
Add plotting of results after a PDFfit run.
|
|
|
|
@5044
|
18 months |
vondreele |
implement copy of LeBail? F0 & Fc from previous histogram in a …
|
|
|
|
@5043
|
18 months |
vondreele |
Add ISODISTORT menu option to RMC menu; active only for PDFfit (under …
|
|
|
|
@5042
|
18 months |
toby |
implement sequential CIF export; minor CIF bug fixes; add su to seq …
|
|
|
|
@5041
|
18 months |
vondreele |
begin to add PDFfit to RMC stuff
|
|
|
|
@5040
|
18 months |
toby |
fix sym-gen constraint display
|
|
|
|
@5038
|
18 months |
toby |
Major revision to constraints including an update to the Sequential …
|
|
|
|
@5037
|
18 months |
vondreele |
add use GPU option for running RMCProfile
remove scrolled sub panels …
|
|
|
|
@5029
|
18 months |
vondreele |
upper limit on crystallite size = 10 (it was 4)
consolidate import …
|
|
|
|
@5028
|
18 months |
vondreele |
remove another misused wx.CallAfter? in OnRefine?
small change to one of …
|
|
|
|
@5026
|
18 months |
vondreele |
fixes to LeBail?: remove the wx.CallAfter? - undesirable effects
clear …
|
|
|
|
@5025
|
19 months |
vondreele |
Add shell plots to 3D reflection plots.
Fix escape character issues …
|
|
|
|
@5023
|
19 months |
toby |
fixes for Origin export & additions to tutorial; fix tutorial image flags
|
|
|
|
@5022
|
19 months |
toby |
Add originpro export from Conrad Gillard (conrad.gillard@…); …
|
|
|
|
@5021
|
19 months |
vondreele |
use copy.deepcopy on element info in PDF stuff to avoid cross talk …
|
|
|
|
@5020
|
19 months |
toby |
index changes for CCTBX; new scrolled output routine; document …
|
|
|
|
@5019
|
19 months |
vondreele |
revise qdata import; rescale by 100 & suppress nans
|
|
|
|
@5018
|
19 months |
vondreele |
do np.nan_to_num on xye to avoid nans in plotting arrays.
remove extra …
|
|
|
|
@5017
|
19 months |
vondreele |
modify xye importer to use qye data from POWGEN CW processing; assumes …
|
|
|
|
@5016
|
19 months |
vondreele |
Add missing Gonio. Radius to pink beam Sample parms.
Minor fixes to …
|
|
|
|
@5015
|
19 months |
vondreele |
changes to comments
|
|
|
|
@5014
|
19 months |
toby |
fix extra comma & relabel fixed bkg file
|
|
|
|
@5013
|
19 months |
vondreele |
remove invalid plot drag message - just console clutter
current best …
|
|
|
|
@5012
|
20 months |
vondreele |
incommensurate mag str fctr correct for MnWO4
|
|
|
|
@5011
|
20 months |
vondreele |
incommensurate magnetic structure factors very close to correct
|
|
|
|
