source: trunk

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Diff Rev Age Author Log Message
(edit) @2860   8 years vondreele a bit more of protein validation
(edit) @2859   8 years vondreele partial implementation of protein check function - not done yet
(edit) @2858   8 years vondreele fix Pawley restraint problem force skip of disordered residues in pdb …
(edit) @2857   8 years toby fix missing cell parms in Seq Ref. table (when not starting with 1st …
(edit) @2856   8 years vondreele fix bug in drawatom add via "sphere" enclosure
(edit) @2854   8 years vondreele implement Hessian SVD refinement option (no Levenberg-Marquardt). …
(edit) @2853   8 years vondreele remove a 'exposed' test print statement add a print of SVD zeros …
(edit) @2852   8 years toby cleanup GSASIIpath to only load one bin directory into path and to …
(edit) @2851   8 years toby more for arrow keys; do not understand how this windows code works, …
(edit) @2850   8 years toby fix arrow key data tree traversal on Mac
(edit) @2849   8 years vondreele change TOF instrument Calibration weighting
(edit) @2848   8 years vondreele add polyhedron drawing for stacking layers
(edit) @2847   8 years vondreele turn off debug in TIF reader provide better(?) trap for LinAlgErrors? …
(edit) @2846   8 years vondreele implement SVD inversion (Moore Penrose invert routine) in Hessian LSQ …
(edit) @2845   8 years toby fix for readthedocs (import without full set of packages
(edit) @2844   8 years toby fix for readthedocs (import without full set of packages
(edit) @2843   8 years vondreele fix focus issues from lists of histograms in tree
(edit) @2842   8 years toby cleanups: crash in show LS params; show constraint vars; set filters …
(edit) @2841   8 years vondreele fix DData & RBmodel selection tables to allow use of up/down arrows - …
(edit) @2840   8 years vondreele fix PDB importer & reimport atoms rework RB GUI - now shows just one …
(edit) @2839   8 years vondreele fix numpy divide issues inquaternions
(edit) @2838   8 years vondreele add a bit of printing to LS & show no. of penalty fxns
(edit) @2837   8 years vondreele fix aniso Uij derivatives - were messing up Uii on trig/hex 3-fold axes
(edit) @2836   8 years vondreele fixes to scripts & fxye importer
(edit) @2835   8 years vondreele add self.scriptable=False to ImportBaseClass? set it True in various …
(edit) @2834   8 years vondreele fix bug on display of Texture fit error
(edit) @2833   8 years toby documentation updates
(edit) @2832   8 years toby documentation updates
(edit) @2831   8 years vondreele fix to put azm on Sample Azimuth for PWDR data
(edit) @2830   8 years vondreele fix read errors for HIPPO data
(edit) @2829   8 years vondreele update tif reader ti include 4 different versions of LCLS tif images
(edit) @2828   8 years vondreele make delt-d column to hydrostatic mustrain in seq 2D strain fit table
(edit) @2827   8 years vondreele add delt-d to 2D strain seq. results table
(edit) @2826   8 years vondreele add covariances to sequential strain ring fit results
(edit) @2825   8 years vondreele remove two prints from GSASIIscriptable.py fix seq results bug for …
(edit) @2824   8 years vondreele fix 2D strain d-zero calc set Refine dlg=None default for easier …
(edit) @2823   8 years vondreele implement hold flag for dzero adjustment in 2D strain fitting
(edit) @2822   8 years vondreele provide comments for GSASIIscriptable.py
(edit) @2821   8 years vondreele revisions to GSASIIscriptable - now works for reading PWDR data
(edit) @2820   8 years vondreele PWDR import now scriptable for single bank patterns
(edit) @2819   8 years vondreele fix printing of nonascii characters (e.g. "umlaut-o") in file names, …
(edit) @2818   8 years vondreele add GetPhaseNames?(fl) to G2obj - uses opened gpx file fix …
(edit) @2817   8 years vondreele major revision - move all importers to GSASIIobj & make them …
(edit) @2816   8 years vondreele add new module GSASIIscriptable.py which has routines for …
(edit) @2815   8 years vondreele sign changes & fix error in texture & Pawley restraints
(edit) @2811   8 years vondreele fix bug in Bruker powder data importer.
(edit) @2810   8 years vondreele oops bug in Transform GUI - fixed
(edit) @2809   8 years vondreele add new transform option for moving atoms from setting #1 --> #2
(edit) @2808   8 years vondreele small fixes to reflectometry calcs. fix Hessian restraint bug - wrong …
(edit) @2807   8 years vondreele fix offset problem in Bruker RAW powder importer Some wordsmithing of …
(edit) @2806   8 years toby Revise space group entry
(edit) @2805   8 years toby change docs to list the version number
(edit) @2804   8 years toby change docs to list the version number
(edit) @2803   8 years toby minor doc updates
(edit) @2802   8 years toby updates for doc build
(edit) @2801   8 years toby at long last, tracked down Mac bug in Expression Editor
(edit) @2800   8 years vondreele fix a simulation output format use a couple of wx.CallAfter? to fix …
(edit) @2798   8 years vondreele avoid crash if DefaultAutoScaleNames? isn't in config.py
(edit) @2797   8 years vondreele fix simulation problem when calc intensities too small
(edit) @2796   8 years toby adjustments for tickmarks
(edit) @2789   8 years vondreele fix GetImageZ to correctly treat background/dark images.
(edit) @2788   8 years vondreele make I/Ib floats in ImageCalibrants?.py fix issue for SASD seq. …
(edit) @2787   8 years vondreele recover code removed in error from MakeDiamDist? in GSASIIsasd.py …
(edit) @2786   8 years vondreele fix seq REFD results display fix 'Rough' problems
(edit) @2785   8 years vondreele add a fit all option for REFD patterns
(edit) @2784   8 years vondreele fix REFD plotting put neutron reflectometry reader back in import routine
(edit) @2783   8 years vondreele include imports/G2rfd_xye.py implement instrument smearing of …
(edit) @2782   8 years vondreele add autoscaling to autointegration impose check on rescale limits - …
(edit) @2781   8 years vondreele add G)R) importer
(edit) @2780   8 years vondreele add .chi file importer to the .xye importer implement rescaling of …
(edit) @2779   8 years toby unicode bug
(edit) @2778   8 years vondreele fix diff pdf routine for imported pdfs
(edit) @2777   8 years vondreele implement import of getPDFx G(R) files NB: these have no matching PWDR …
(edit) @2776   8 years vondreele add a number of materials to Substances.py implement multilayer …
(edit) @2775   8 years toby make autoint polltime adjustable
(edit) @2774   8 years vondreele implement MC/SA for reflectometry more image importer speed ups
(edit) @2773   8 years vondreele avoid DetDep? missing error from old gpx files speedups in image importers
(edit) @2772   8 years vondreele do some speedups of image tiff readers Modify PlotXY so it sort of …
(edit) @2771   8 years vondreele fix copy model problem
(edit) @2770   8 years vondreele fix import new phase behavior - wasn't finishing properly fix HKL …
(edit) @2769   8 years vondreele remove commented imports from G2ctrls force float for all common …
(edit) @2768   8 years toby crash on Bravais lattice selection
(edit) @2767   8 years vondreele make clearer H->R & R->H transformation labels implement generic unit …
(edit) @2766   8 years vondreele add display of optional vertical lines to PlotXY (used for …
(edit) @2765   8 years toby formatting changes for docs; add debug to conf.py
(edit) @2764   8 years toby formatting changes for docs; add debug to conf.py
(edit) @2763   8 years vondreele add plotting of reflectometry model scattering profiles add magnetic …
(edit) @2762   8 years vondreele fix sequential peak fit display fix window crash issue in …
(edit) @2761   8 years vondreele fix parameter bugs for reflectometry add more substances
(edit) @2760   8 years vondreele new auto spot mask finder - works for diamond spots (not so well fro …
(edit) @2759   8 years vondreele fix problem viewing LS parameters with constraints fix problem …
(edit) @2758   8 years vondreele implement L-BFGS-B and basinhopping (preliminary) minimizers for …
(edit) @2757   8 years vondreele workable reflectometry fitting by Levenberg-Marquart least squares.
(edit) @2756   8 years vondreele fix importer for Perkin-Elmer 4Kx4K detector
(edit) @2755   8 years vondreele extend Export HKLs for powder data to include most all columns in …
(edit) @2754   8 years vondreele fix "off-by-one" problem in powder profiles; calc missed last point - …
(edit) @2753   8 years vondreele minor shuffling about for atom constraints - no discernable impact …
(edit) @2752   8 years vondreele fix (again) a LeBail? bug on loading a new phase
(edit) @2751   8 years vondreele fix bug setting atom parms to zero.
(edit) @2750   8 years vondreele fix issues with adding new phase, forgetting to add atoms to it, and …
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