source: trunk/GSASIIphsGUI.py

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Diff Rev Age Author Log Message
(edit) @3029   4 years vondreele implement correctly errat for protein validation; erratv2 not right
(edit) @3000   4 years toby make the two frame version the trunk as we hit version 3000
(edit) @2880   4 years toby Fix copy flags for non-isotropic size/strain models
(edit) @2875   4 years toby Allow space group entry by number; move SGMessageBox to GSASIIctrls
(edit) @2873   4 years toby more fixes & cleanup for phase/data window
(edit) @2872   4 years toby include only added histograms in Phase/Data? operations
(edit) @2864   4 years vondreele new delete hist
(edit) @2863   4 years vondreele extend contour color selection to include reversed ones (doubles the …
(edit) @2853   5 years vondreele remove a 'exposed' test print statement add a print of SVD zeros …
(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) @2834   5 years vondreele fix bug on display of Texture fit error
(edit) @2809   5 years vondreele add new transform option for moving atoms from setting #1 --> #2
(edit) @2807   5 years vondreele fix offset problem in Bruker RAW powder importer Some wordsmithing of …
(edit) @2806   5 years toby Revise space group entry
(edit) @2800   5 years vondreele fix a simulation output format use a couple of wx.CallAfter? to fix …
(edit) @2770   5 years vondreele fix import new phase behavior - wasn't finishing properly fix HKL …
(edit) @2750   5 years vondreele fix issues with adding new phase, forgetting to add atoms to it, and …
(edit) @2745   5 years vondreele fixes to SetPhaseWindow? so scroll is over entire range of grids & …
(edit) @2737   5 years vondreele RB fix
(edit) @2735   5 years vondreele set default flight path = 20. in case FPATH0 missing from TOF Iparm …
(edit) @2726   5 years vondreele fix data window resizing problem after DoRefine? trap Pawley issues …
(edit) @2718   5 years vondreele implement LaBail? - not finished.
(edit) @2693   5 years vondreele fix problem in Fourier reflection selection where if no selection made …
(edit) @2691   5 years vondreele fix Transform - cell constraints were wrong needed to clear …
(edit) @2665   5 years vondreele fix problem changing atom type for selected atoms - Type was made …
(edit) @2662   5 years vondreele change use of type to Type for a variable in FindPlotTab? fix duplicate …
(edit) @2656   5 years toby Way cleaner approach to grid pointer; handles multiple grids in a …
(edit) @2655   5 years toby Close out grids before deleting in G2gr.SelectDataTreeItem?; save …
(edit) @2646   5 years vondreele added waterfall colors to single & multiple I(Q)..G(r) plots a start …
(edit) @2642   5 years vondreele move SetSize? kluge to setSizePosLeft - fixed all the scroll window …
(edit) @2640   5 years vondreele change Width to Size in setSizePosLeft kluge to get correct scrolling …
(edit) @2638   5 years vondreele fix atom type change problem - made ReadOnly?; DClick now cleanly gets …
(edit) @2624   5 years vondreele fix a lastSize issue & initial Data window position problem
(edit) @2623   5 years vondreele Allow multisplit Phase frames in debug mode only
(edit) @2622   5 years vondreele avoid undefined G2frame.dataFrame bug comment out two save size prints …
(edit) @2619   5 years toby note when Phase window is resized and use that size
(edit) @2607   5 years toby redo help to use DataFrame? helpKey; define .dataFrame.helpKey; rename …
(edit) @2601   5 years vondreele Add editing of atom bond radii for drawings; modify DisAglDialog? to …
(edit) @2600   5 years vondreele remove comment about mag structures under construction set powder peak …
(edit) @2594   5 years toby Center Pawley input window
(edit) @2593   5 years toby Add Pawley settings menu item; open Phases and selected data tree item …
(edit) @2588   5 years vondreele TextCtrl? --> ValidatedTxtCtrl? for Pawley dmin & wt
(edit) @2572   5 years vondreele TextCtrl? -- ValidatedTextCtrl?
(edit) @2551   5 years vondreele clean up G2imageGUI Add start on autoSpot mask - not complete some …
(edit) @2550   5 years vondreele fix binary import for Bruker raw files fix issues for new atoms in mag …
(edit) @2546   5 years vondreele cleanup of all GSASII main routines - remove unused variables, dead …
(edit) @2544   5 years vondreele major cleanup of unused variables, etc.
(edit) @2530   5 years vondreele finish window placement rules - data display window upper right is …
(edit) @2522   5 years vondreele Do Ivo's changes & some more work on mag derivatives.
(edit) @2521   5 years toby extensions to Peak List: vary via menu items; animate line dragging; …
(edit) @2517   5 years vondreele Fix problem with hand entering atom Type - will now bring up periodic …
(edit) @2516   5 years toby revise import to not assume Bank 1 with multibank instparm files; deal …
(edit) @2512   5 years vondreele remove 'constraint' and 'restraint' from Consraints & Restraints tabs …
(edit) @2504   5 years vondreele fix typo in G2VarObj repr 'str' not 'self' set correct Scale for …
(edit) @2501   5 years vondreele fix (again!) mag moment drawings clean up testDeriv
(edit) @2497   5 years vondreele further work on mag derivatives all seem ok except Mx, My, & Mz
(edit) @2492   5 years vondreele fix handling of Lande g factor fix Mag structure factor calcs - now OK …
(edit) @2491   5 years vondreele fix bug for call to GetPhaseData? in export phase put in stub for …
(edit) @2486   5 years vondreele fix mag form factor lookup - some aren't chemical valences (e.g. Fe+4) …
(edit) @2485   5 years toby add Compute density to Phase/atoms
(edit) @2483   5 years vondreele fix site symmetry issues for magnetic moments on special positions
(edit) @2482   5 years vondreele allow atom constraints between phases
(edit) @2481   5 years vondreele force Transform to delete nonmagnetic atoms if phase made magnetic & …
(edit) @2480   5 years vondreele add make magnetic phase to General/Transform? option trap missing rigid …
(edit) @2476   5 years vondreele Add new feature to structure plots - display an hkl plane or stack of …
(edit) @2475   5 years vondreele fix spin transform errors - now match old GSAS fix spin flip import …
(edit) @2474   5 years vondreele fix spin inversion plot & some refine list issues
(edit) @2473   5 years vondreele work on magnetic structures - import from EXP, plotting, LS refine …
(edit) @2471   5 years vondreele complete atom/draw atom editing for magnetic structures
(edit) @2470   5 years vondreele magnetic structure editing/drawing work - includes site symm restrictions
(edit) @2468   5 years vondreele add dzero calc from compression 2D images plot magnetic structures; …
(edit) @2467   5 years vondreele modify 2D strain Dcalc to be dmin+(dmax-dmin)/4. per Yan Gao begin …
(edit) @2464   5 years vondreele magnetic space group work - spin flip display
(edit) @2461   5 years vondreele magnetic space group determination done
(edit) @2458   5 years vondreele Mag space group work
(edit) @2451   5 years vondreele Add target atom type selection to sphere of enclosure
(edit) @2450   5 years vondreele fix error in matrix in getCellEsd & RetDistAngle? Add new atom drawing …
(edit) @2431   5 years vondreele fix problem with wxPython 3.x with changing text entry focus. Needed a …
(edit) @2430   5 years vondreele force limits from d-min to be within allowed range & less than 168.5 …
(edit) @2429   5 years vondreele force powder histograms limits to conform to dmin choice for Pawley …
(edit) @2423   5 years vondreele fix bug in charge flip phase plotting
(edit) @2406   5 years vondreele change spin flip from red/black to -1/1
(edit) @2401   5 years vondreele begin adding magnetism; change space group fortran code modify …
(edit) @2311   5 years vondreele add tracking of 5 user selected reflection phases during charge …
(edit) @2285   6 years vondreele add importer for Shelx .ins files also one for old GSAS Pnn powder …
(edit) @2278   6 years vondreele add calculation of total fault density to Layers GUI trap another plot …
(edit) @2276   6 years vondreele show plotted layer names on plot status bar
(edit) @2272   6 years vondreele add Stacking Faults II tutorial add a Copy Phase command to Layers …
(edit) @2249   6 years vondreele fix bug in stacking fault dialog add stacking fault-I to tutorial menu
(edit) @2245   6 years vondreele add a line to the layer GUI informing lack of refinement capability …
(edit) @2243   6 years vondreele put Dx,Dy & Dz into future stacking fault parameters
(edit) @2242   6 years vondreele change default stack inst to Gaussian provide labels for plots of …
(edit) @2237   6 years vondreele Add a useful print in stacking simulations trap PyAssertionErrors? & …
(edit) @2236   6 years vondreele allow delete last layer & fraction input for stacking probability
(edit) @2234   6 years toby implement code to select appropriate tree time when a plot tab is selected
(edit) @2233   6 years vondreele force transposed phase atoms to be in unit cell modify structure plot …
(edit) @2230   6 years vondreele comment out the Atoms Rotate menu option - might be ill conceived
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