source: trunk

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Diff Rev Age Author Log Message
(edit) @3045   8 years vondreele plot both protein vlidators (#2 still in erroe) remove config value …
(edit) @3044   8 years vondreele remove local basinhopping
(edit) @3043   8 years vondreele comment block blunder fixed
(edit) @3042   8 years vondreele add scipy license to basinhopping MCSA plot bug fix
(edit) @3041   8 years toby Fully implement multiprocessing on reflection loops, but currently …
(edit) @3039   8 years vondreele fixes to 2D strain fitting & remove no longer used code
(edit) @3038   8 years vondreele fix sequential 2D stress/strain fitting
(edit) @3037   8 years vondreele remove a stray status text() get rid of wx.EXPAND for Sample …
(edit) @3035   8 years vondreele fix another umlaut problem
(edit) @3034   8 years vondreele remove 'u' from file name extension use. See what happens with …
(edit) @3033   8 years vondreele fixes to protein validate, "old" works; not "old" close but not perfect
(edit) @3030   8 years vondreele make protein validation work with old (works) and new (doesn't work) …
(edit) @3029   8 years vondreele implement correctly errat for protein validation; erratv2 not right
(edit) @3027   8 years odonnell no wx dependency for export
(edit) @3026   8 years odonnell add uiso setter
(edit) @3025   8 years toby work on installation issues
(edit) @3024   8 years toby fix DisAgl? problem in CIF export
(edit) @3023   8 years odonnell remove wx dependency for GSASIIscriptable
(edit) @3022   8 years odonnell new pId/hId setters, factor out hist/phase linking code
(edit) @3019   8 years odonnell fixed error in refactoring
(edit) @3018   8 years toby put user-defined seq ref var labels into table
(edit) @3017   8 years toby change reading of "Chess" (Pilatus?) detector to uint32 to avoid …
(edit) @3016   8 years odonnell WIP
(edit) @3015   8 years odonnell refactor do_refinements
(edit) @3014   8 years toby correct evaluation of cell parameters for use in pseudo variables
(edit) @3013   8 years toby Masks: fix drag bug, set spot size; fix windows positioning
(edit) @3012   8 years odonnell Switch GSASIIscriptable.py to argparse, fixed bug with .instprm files
(edit) @3011   8 years odonnell CIF export. changelist: * Start using argparse module in …
(edit) @3010   8 years vondreele work on colors for PWDR plots - picked PWDR is now always same colors …
(edit) @3009   8 years odonnell more documentation changes, removed (phase|histogram)_names, add occupancy
(edit) @3008   8 years vondreele remove print "no phases found..." use contour colors for powder …
(edit) @3007   8 years odonnell G2Project.refine does not back up, refactored phase/histogram access, …
(edit) @3006   8 years vondreele
(edit) @3005   8 years vondreele fix multiprocess for getProfileDerivMP - useMP=False
(edit) @3004   8 years toby Add multiprocessing for derivatives, but commented out
(edit) @3003   8 years vondreele more development of protein validation - still not correct substitute …
(edit) @3001   8 years toby remove 2frame ref from Help menu
(edit) @3000   8 years toby make the two frame version the trunk as we hit version 3000
(edit) @2951   8 years toby Make directory for all binaries
(edit) @2936   8 years toby bail out when bin lookup fails
(edit) @2926   8 years toby fix import & switch msg
(edit) @2925   8 years toby add switch to 2frame; allow for latest G2path
(edit) @2904   8 years toby try to fix Docs build
(edit) @2903   8 years toby try to fix Docs build
(edit) @2902   8 years toby try to fix Docs build
(edit) @2901   8 years toby try to fix Docs build
(edit) @2897   8 years toby fix full CIF export bug
(edit) @2894   8 years toby speed derivative computation; add commented timing code
(edit) @2889   8 years vondreele a fix to gltext - some bug in pyopengl 3.1.1a1 gives errors but …
(edit) @2887   8 years toby setup & use bindist location for downloaded binaries
(edit) @2886   8 years toby make location for downloaded binary
(edit) @2881   8 years toby Set tickmark colors for phases the same for all powder histograms
(edit) @2880   8 years toby Fix copy flags for non-isotropic size/strain models
(edit) @2879   8 years toby Seq. Ref.: fix tickmarks on plot; single click on hist in table plots it
(edit) @2878   8 years toby add Yield for seq ref plotting
(edit) @2877   8 years toby Plot each histogram after fitting in a sequential refinement
(edit) @2876   8 years toby allow variables to change during seq. ref.; fix error w/unused phases
(edit) @2875   8 years toby Allow space group entry by number; move SGMessageBox to GSASIIctrls
(edit) @2874   8 years toby Sequential refinement fixes where # of phases change
(edit) @2873   8 years toby more fixes & cleanup for phase/data window
(edit) @2872   8 years toby include only added histograms in Phase/Data? operations
(edit) @2871   8 years vondreele change ContourColor? default back to Paired even if it is 12 color …
(edit) @2870   8 years toby Allow hiding of columns in Seq Table
(edit) @2869   8 years toby change color on Seq parm fit plot
(edit) @2868   8 years toby fix bug in Expr Edit; add math import (should not be needed, but will …
(edit) @2867   8 years toby fix sequential exports
(edit) @2865   8 years vondreele fix problem with contour color preference setting
(edit) @2864   8 years vondreele new delete hist
(edit) @2863   8 years vondreele extend contour color selection to include reversed ones (doubles the …
(edit) @2862   8 years vondreele comment out GetFobsSq? from errRefine - should save time recalculating …
(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
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