source:

Revision Log Mode:


Legend:

Added
Modified
Copied or renamed
Diff Rev Age Author Log Message
(edit) @5355   3 years toby start work on interfacing NIST*LATTICE
(edit) @5354   3 years vondreele remove "magnetic" O atom from possible magnetic ion lists from …
(edit) @5353   3 years toby deal with singular input for mag merge
(edit) @5352   3 years toby add ability to merge chem and magnetic phases in a quick CIF
(edit) @5351   3 years vondreele add simple importer for Bruker .brml powder data files.
(edit) @5350   3 years vondreele add O to magnetic atom table.
(edit) @5349   3 years vondreele add a fake magnetic form factor for neutral O = neutral Sc
(edit) @5348   3 years vondreele fix to cluster analysis plotting
(edit) @5347   3 years vondreele fixes to Cluster Analysis tutorial wrt new plot options.
(edit) @5346   3 years vondreele change cluster analysis plots so 2D PCA plot is shown in the 4 panel …
(edit) @5345   3 years vondreele Add 2D PCA plot option to cluster analysis display
(edit) @5344   3 years vondreele Add new plot to cluster analysis that shows serial distances across …
(edit) @5343   3 years vondreele fix issue with TOF data in getPawleydRange & remove an obviously not …
(edit) @5342   3 years toby Add option to highlight classes of reflections in Unit Cells List
(edit) @5341   3 years toby Pawley work: force dmin & max to be in range of data (now shown); show …
(edit) @5340   3 years vondreele Install Cluster Analysis tutorial into GSAS-II
(edit) @5339   3 years vondreele Add Cluster Analysis tutorial
(edit) @5338   3 years toby compute peak fit only when refined or edited
(edit) @5337   3 years toby compute peak fit only when there are peaks
(edit) @5336   3 years vondreele more fixes to cluster analysis
(edit) @5335   3 years toby add MagCIF reading to scripting
(edit) @5334   3 years vondreele fix to cluster analysis
(edit) @5333   3 years vondreele finish Cluster Analysis help pages.
(edit) @5332   3 years vondreele fix bugs & make changes to Cluster Analysis stuff & add new help text …
(edit) @5331   3 years vondreele add metrics to cluster analysis. cluster list now colored to match PCA …
(edit) @5330   3 years vondreele improvements to cluster analysis - data members & outlier members can …
(edit) @5329   3 years vondreele fix to MAR CCD hearer info reader
(edit) @5328   3 years toby fullrmc new paper update
(edit) @5327   3 years toby tutorials updates
(edit) @5326   3 years toby tutorials updates (fullrmc/rename profile fit)
(edit) @5325   3 years vondreele add outlier detection to cluster analysis - finds "bad data"
(edit) @5324   3 years toby add "create inst parm" to tutorial
(edit) @5323   3 years vondreele improvements to cluster analysis
(edit) @5322   3 years vondreele improvements to scipy cluster analysis & start on Scikit-learn version
(edit) @5321   3 years toby add fullrmc tutorial (finally)
(edit) @5320   3 years toby more fullrmc work (all but swaps done?); misc docs fixes
(edit) @5319   3 years vondreele fixs & improvements to cluster analysis
(edit) @5318   3 years vondreele Good 1st version of cluster analysis; missing docs
(edit) @5317   3 years toby fullrmc updates
(edit) @5316   3 years vondreele Add DifB, sig-q, gam-q to RMCProfile .ins file fo ruse by RMCProfile
(edit) @5315   3 years toby force progress % to int in old ProgressDialog?
(edit) @5314   3 years toby force progress % to int in old ProgressDialog?
(edit) @5313   3 years toby bypass RMCprofile ionic species bug; start on rigid body fullrmc …
(edit) @5312   3 years vondreele Improvements to REFD GUI: added spinners on roughness & thickness; …
(edit) @5311   3 years vondreele Add Make CSV from table to the Reflection List menu.
(edit) @5310   3 years vondreele fix spelling error for EFtables (not "ELtables") in SeqRefine?
(edit) @5309   3 years vondreele Add EFtable to list of returned items from G2strIO.GetPhaseData? every …
(edit) @5308   3 years vondreele fix ZERO sign in MakeInst? for RMCProfile
(edit) @5307   3 years vondreele add micro-ED support. New electron scattering tables, new histogram …
(edit) @5306   3 years toby collect atoms & fullrmc fixes
(edit) @5305   3 years toby constraints fix
(edit) @5304   3 years vondreele minor tweaks to mag calcs fix but in LeBail? refinements
(edit) @5303   3 years toby export peaks to PreDICT
(edit) @5302   3 years toby Thicken dashed blue line for extinct reflections
(edit) @5301   3 years toby Add option to show extinction reflections to Index Cells List display; …
(edit) @5300   3 years toby more doc fixes
(edit) @5299   3 years toby LaTeX fix for docs
(edit) @5298   3 years toby add table of variables to sphinx docs from GSASIIobj.CompileVarDesc?() …
(edit) @5297   3 years vondreele ix format of LeBail? zero cycle result popup revisions to incomm. mag. …
(edit) @5296   3 years toby Start on fullrmc fixes
(edit) @5295   3 years vondreele fix for missing "grid window" (or "GridWindow?").
(edit) @5294   3 years vondreele fix vacancy x-ray form factor coeff; fc shouldn't be a list!
(edit) @5293   3 years vondreele fix bugs in computing partials, zero cycle refines & covar matrix …
(edit) @5292   3 years toby fix bug in plotting peak list
(edit) @5291   3 years vondreele add new menu item to Calculate: "Save partials as csv" Simplify GUI …
(edit) @5290   3 years vondreele fix to non 'analytical Hessian'; add 'num cyc' to results[2].
(edit) @5289   3 years vondreele fix undoubled escape sequences in line 1442
(edit) @5288   3 years toby add routines to install gsl and/or diffpy.pdffit2, possibly in a …
(edit) @5287   3 years vondreele improvements to zero cycle refinement & partial calcs.
(edit) @5286   3 years toby add Mac pdffit2 .so files
(edit) @5285   3 years toby multiple PDFfit2 changes; seems to work well on Windows w/3.7, 3.8 & 3.9
(edit) @5284   3 years vondreele fix so partials are made only if there are more than one phase in a …
(edit) @5283   3 years vondreele implement partials for TOF, pink & EDS
(edit) @5282   3 years vondreele fixes to partial plots
(edit) @5281   3 years toby start putting paths into PDFfit script
(edit) @5280   3 years toby add it back; now loads for me
(edit) @5279   3 years toby remove .pyd so we can copy it via windows
(edit) @5278   3 years toby pdffit2 binary split from .py files; works on Mac
(edit) @5277   3 years toby reorg pdffit
(edit) @5276   3 years toby always remove excluded regions from difference plots; plot phase partials
(edit) @5275   3 years toby change partial pickle file contents; make partial .csv optional
(edit) @5274   3 years toby implement save of intensities by phase (partials)
(edit) @5273   3 years toby Laue Fringe fixes
(edit) @5272   3 years toby fix Pawley guidance & some html bookmarks
(edit) @5271   3 years toby add in Laue Fringe peak fitting
(edit) @5270   3 years toby move Win64 diffpy into binary directory
(edit) @5269   3 years toby add config var for pdffit2 and show err message
(edit) @5268   3 years toby add csv column selection option
(edit) @5267   3 years toby error w/LeBail flag not set
(edit) @5266   3 years toby error w/LeBail flag not set
(edit) @5265   3 years toby back out LaueFringe? dev work
(edit) @5264   3 years toby print weight fraction w/esd even if not directly varied
(edit) @5263   3 years toby remove entry from html index
(edit) @5262   3 years vondreele revise help pages to a common style; bullet points instead of …
(edit) @5261   3 years toby cleanups in peak fitting
(edit) @5260   3 years toby Add new progress window as an option
(edit) @5259   3 years vondreele add '?' to sequential results display add stuff to help/gsasII.html
(edit) @5258   3 years vondreele skip Pawley phases in calcMassFracs.
(edit) @5257   3 years vondreele Add '?' to various places & all connect to help pages with text filled …
(edit) @5256   3 years vondreele comments in G2image a fix to REFD plotting new help entries for SASD & REFD
Note: See TracRevisionLog for help on using the revision log.