source: trunk

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Diff Rev Age Author Log Message
(edit) @3019   5 years odonnell fixed error in refactoring
(edit) @3018   5 years toby put user-defined seq ref var labels into table
(edit) @3017   5 years toby change reading of "Chess" (Pilatus?) detector to uint32 to avoid …
(edit) @3016   5 years odonnell WIP
(edit) @3015   5 years odonnell refactor do_refinements
(edit) @3014   5 years toby correct evaluation of cell parameters for use in pseudo variables
(edit) @3013   5 years toby Masks: fix drag bug, set spot size; fix windows positioning
(edit) @3012   5 years odonnell Switch GSASIIscriptable.py to argparse, fixed bug with .instprm files
(edit) @3011   5 years odonnell CIF export. changelist: * Start using argparse module in …
(edit) @3010   5 years vondreele work on colors for PWDR plots - picked PWDR is now always same colors …
(edit) @3009   5 years odonnell more documentation changes, removed (phase|histogram)_names, add occupancy
(edit) @3008   5 years vondreele remove print "no phases found..." use contour colors for powder …
(edit) @3007   5 years odonnell G2Project.refine does not back up, refactored phase/histogram access, …
(edit) @3006   5 years vondreele
(edit) @3005   5 years vondreele fix multiprocess for getProfileDerivMP - useMP=False
(edit) @3004   5 years toby Add multiprocessing for derivatives, but commented out
(edit) @3003   5 years vondreele more development of protein validation - still not correct substitute …
(edit) @3001   5 years toby remove 2frame ref from Help menu
(edit) @3000   5 years toby make the two frame version the trunk as we hit version 3000
(edit) @2951   5 years toby Make directory for all binaries
(edit) @2936   5 years toby bail out when bin lookup fails
(edit) @2926   5 years toby fix import & switch msg
(edit) @2925   5 years toby add switch to 2frame; allow for latest G2path
(edit) @2904   5 years toby try to fix Docs build
(edit) @2903   5 years toby try to fix Docs build
(edit) @2902   5 years toby try to fix Docs build
(edit) @2901   5 years toby try to fix Docs build
(edit) @2897   5 years toby fix full CIF export bug
(edit) @2894   5 years toby speed derivative computation; add commented timing code
(edit) @2889   5 years vondreele a fix to gltext - some bug in pyopengl 3.1.1a1 gives errors but …
(edit) @2887   5 years toby setup & use bindist location for downloaded binaries
(edit) @2886   5 years toby make location for downloaded binary
(edit) @2881   5 years toby Set tickmark colors for phases the same for all powder histograms
(edit) @2880   5 years toby Fix copy flags for non-isotropic size/strain models
(edit) @2879   5 years toby Seq. Ref.: fix tickmarks on plot; single click on hist in table plots it
(edit) @2878   5 years toby add Yield for seq ref plotting
(edit) @2877   5 years toby Plot each histogram after fitting in a sequential refinement
(edit) @2876   5 years toby allow variables to change during seq. ref.; fix error w/unused phases
(edit) @2875   5 years toby Allow space group entry by number; move SGMessageBox to GSASIIctrls
(edit) @2874   5 years toby Sequential refinement fixes where # of phases change
(edit) @2873   5 years toby more fixes & cleanup for phase/data window
(edit) @2872   5 years toby include only added histograms in Phase/Data? operations
(edit) @2871   5 years vondreele change ContourColor? default back to Paired even if it is 12 color …
(edit) @2870   5 years toby Allow hiding of columns in Seq Table
(edit) @2869   5 years toby change color on Seq parm fit plot
(edit) @2868   5 years toby fix bug in Expr Edit; add math import (should not be needed, but will …
(edit) @2867   5 years toby fix sequential exports
(edit) @2865   5 years vondreele fix problem with contour color preference setting
(edit) @2864   5 years vondreele new delete hist
(edit) @2863   5 years vondreele extend contour color selection to include reversed ones (doubles the …
(edit) @2862   5 years vondreele comment out GetFobsSq? from errRefine - should save time recalculating …
(edit) @2860   5 years vondreele a bit more of protein validation
(edit) @2859   5 years vondreele partial implementation of protein check function - not done yet
(edit) @2858   5 years vondreele fix Pawley restraint problem force skip of disordered residues in pdb …
(edit) @2857   5 years toby fix missing cell parms in Seq Ref. table (when not starting with 1st …
(edit) @2856   5 years vondreele fix bug in drawatom add via "sphere" enclosure
(edit) @2854   5 years vondreele implement Hessian SVD refinement option (no Levenberg-Marquardt). …
(edit) @2853   5 years vondreele remove a 'exposed' test print statement add a print of SVD zeros …
(edit) @2852   5 years toby cleanup GSASIIpath to only load one bin directory into path and to …
(edit) @2851   5 years toby more for arrow keys; do not understand how this windows code works, …
(edit) @2850   5 years toby fix arrow key data tree traversal on Mac
(edit) @2849   5 years vondreele change TOF instrument Calibration weighting
(edit) @2848   5 years vondreele add polyhedron drawing for stacking layers
(edit) @2847   5 years vondreele turn off debug in TIF reader provide better(?) trap for LinAlgErrors?
(edit) @2846   5 years vondreele implement SVD inversion (Moore Penrose invert routine) in Hessian LSQ …
(edit) @2845   5 years toby fix for readthedocs (import without full set of packages
(edit) @2844   5 years toby fix for readthedocs (import without full set of packages
(edit) @2843   5 years vondreele fix focus issues from lists of histograms in tree
(edit) @2842   5 years toby cleanups: crash in show LS params; show constraint vars; set filters …
(edit) @2841   5 years vondreele fix DData & RBmodel selection tables to allow use of up/down arrows - …
(edit) @2840   5 years vondreele fix PDB importer & reimport atoms rework RB GUI - now shows just one …
(edit) @2839   5 years vondreele fix numpy divide issues inquaternions
(edit) @2838   5 years vondreele add a bit of printing to LS & show no. of penalty fxns
(edit) @2837   5 years vondreele fix aniso Uij derivatives - were messing up Uii on trig/hex 3-fold axes
(edit) @2836   5 years vondreele fixes to scripts & fxye importer
(edit) @2835   5 years vondreele add self.scriptable=False to ImportBaseClass? set it True in various …
(edit) @2834   5 years vondreele fix bug on display of Texture fit error
(edit) @2833   5 years toby documentation updates
(edit) @2832   5 years toby documentation updates
(edit) @2831   5 years vondreele fix to put azm on Sample Azimuth for PWDR data
(edit) @2830   5 years vondreele fix read errors for HIPPO data
(edit) @2829   5 years vondreele update tif reader ti include 4 different versions of LCLS tif images
(edit) @2828   5 years vondreele make delt-d column to hydrostatic mustrain in seq 2D strain fit table
(edit) @2827   5 years vondreele add delt-d to 2D strain seq. results table
(edit) @2826   5 years vondreele add covariances to sequential strain ring fit results
(edit) @2825   5 years vondreele remove two prints from GSASIIscriptable.py fix seq results bug for …
(edit) @2824   5 years vondreele fix 2D strain d-zero calc set Refine dlg=None default for easier …
(edit) @2823   5 years vondreele implement hold flag for dzero adjustment in 2D strain fitting
(edit) @2822   5 years vondreele provide comments for GSASIIscriptable.py
(edit) @2821   5 years vondreele revisions to GSASIIscriptable - now works for reading PWDR data
(edit) @2820   5 years vondreele PWDR import now scriptable for single bank patterns
(edit) @2819   5 years vondreele fix printing of nonascii characters (e.g. "umlaut-o") in file names, …
(edit) @2818   5 years vondreele add GetPhaseNames?(fl) to G2obj - uses opened gpx file fix …
(edit) @2817   5 years vondreele major revision - move all importers to GSASIIobj & make them …
(edit) @2816   5 years vondreele add new module GSASIIscriptable.py which has routines for …
(edit) @2815   5 years vondreele sign changes & fix error in texture & Pawley restraints
(edit) @2811   5 years vondreele fix bug in Bruker powder data importer.
(edit) @2810   5 years vondreele oops bug in Transform GUI - fixed
(edit) @2809   5 years vondreele add new transform option for moving atoms from setting #1 --> #2
(edit) @2808   5 years vondreele small fixes to reflectometry calcs. fix Hessian restraint bug - wrong …
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