source: trunk/GSASIIgrid.py

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Diff Rev Age Author Log Message
(edit) @968   12 years vondreele disable multiprocess stuff comment one line
(edit) @962   12 years vondreele implement multiprocessing for MC/SA calculations
(edit) @951   12 years vondreele more on MC/SA
(edit) @939   12 years toby fix & cleanup unit tests; add/change doc strings for sphinx; add all …
(edit) @937   12 years toby More improvements to ValidatedTxtCtrl?
(edit) @936   12 years vondreele more MC/SA stuff further drawing optimization
(edit) @934   12 years vondreele changes for MC/SA
(edit) @933   12 years toby Add megawidgets needed for CIF development
(edit) @927   12 years vondreele more G2str fixes
(edit) @923   12 years toby more doc updates
(edit) @914   12 years toby fix wx.Notebook emulation
(edit) @913   12 years toby add wx.Notebook emulation
(edit) @912   12 years toby Change phase data window so that user resize is tracked and saved; …
(edit) @906   12 years toby switch to aui.notebook for data display window; work on phase data …
(edit) @903   12 years toby Fix problem with large constraints; Change binding of data item menus …
(edit) @899   12 years toby Fix menu bug
(edit) @881   12 years vondreele more RB editing & fixes '+0' & '-0' (vice versa) removed from any cif …
(edit) @880   12 years toby Implement read for Reimport
(edit) @865   12 years vondreele Add reference to the About GSAS-II box
(edit) @863   12 years vondreele fix to notebook & comment (not allowed) editing avoid a dead window …
(edit) @862   12 years vondreele start on a reload of atom coordinates small fix to rb stuff - redraw …
(edit) @859   12 years vondreele still more rigid body fixes add thermal motion models allow copy of RB …
(edit) @855   12 years vondreele RB input mostly finished; now has thermal motion models
(edit) @852   12 years vondreele rigid body changes
(edit) @851   12 years vondreele more rigid body stuff, plotting, RB placement, import of more types of …
(edit) @850   12 years vondreele fix problem with atoms with An+ style of valence more places for size …
(edit) @849   12 years vondreele more work on rigid bodies - now put into crystal structures, atom edit …
(edit) @848   12 years vondreele move all class stuff in GSAIIphsGUI to GSASIIgrid.py move all DData …
(edit) @843   12 years vondreele set proper defaults for Controls improve HKLF plot
(edit) @841   12 years vondreele put in Monte Carlo - Simulated Annealing controls start on rigid body …
(edit) @840   12 years vondreele define torsion sequences in RBs show/hide bonds between map peaks with …
(edit) @837   12 years vondreele more on rigid bodies - imput of text file of coordinates work on HKL …
(edit) @831   12 years vondreele more on rigid bodies
(edit) @823   12 years vondreele begin Rigid Body GUI stuff - make tree entry & main GUI GUI code is in …
(edit) @818   12 years vondreele complete restraint GUI stuff provide restraint plots for torsions & …
(edit) @817   12 years vondreele new GSASIIdata.py for useful data add ramachandran calcs show unit …
(edit) @811   13 years vondreele split GSASIIgrid.py into 3 parts; GSASIIconstrGUI.py & …
(edit) @810   13 years vondreele add 'all' in constraint editing for histogram selection
(edit) @808   13 years vondreele Add Babinet modification to form factors - works OK Use atom Ids for …
(edit) @807   13 years vondreele add ability to move atoms on the plot start on bond restraint adding …
(edit) @796   13 years vondreele revise instrument parameters (again); now two dictionaries revise key …
(edit) @795   13 years vondreele implement TOF input, peak search & fitting auto peak search convert …
(edit) @792   13 years vondreele change instrument parameters to dict from lists chase down effects - …
(edit) @791   13 years vondreele fix help reference for Windows browser more work on gsasII help files
(edit) @786   13 years vondreele allow dragging of atoms from one part of atom list to another
(edit) @778   13 years toby add help separator as per request from Bob
(edit) @776   13 years toby revise menu creation to add 2nd separator on mac and put Help as final …
(edit) @774   13 years vondreele Add find equivalent peaks to mappeaks
(edit) @765   13 years toby refactor menus on Mac, clean up main menu generation
(edit) @762   13 years toby update py files to use native line ends, add update from svn to help …
(edit) @752   13 years vondreele add peak distance, view point selection & distance options allow …
(edit) @748   13 years vondreele change view point operation & use view point as atom insertion remove …
(edit) @746   13 years vondreele enter Pawley weight for negatives - penalty fxn. remove delete Pawley …
(edit) @740   13 years vondreele bug fixes
(edit) @739   13 years vondreele work on restraints editing
(edit) @736   13 years vondreele add space group choice to cell indexing page
(edit) @721   13 years vondreele add dist/angle calc for map peaks unique peaks selects unique set from …
(edit) @715   13 years vondreele small fix to constraint display
(edit) @699   13 years vondreele implement restore data window after refine implement sample parameters …
(edit) @698   13 years vondreele implement Pawley update from reflection list a bit more for stress/atrain
(edit) @697   13 years vondreele add ranId to PWDR histograms & each PhaseSelector? implement 'Use' for …
(edit) @696   13 years vondreele begin implementation of image strain analysis - GUI stuff first make …
(edit) @687   13 years vondreele histogram wtFactors for PWDR & HKLF (latter not implemented yet) means …
(edit) @685   13 years vondreele more on restraints: GUI display, edit & delete
(edit) @684   13 years vondreele more restraint stuff fix background bug
(edit) @683   13 years vondreele fix dlg.Destroy as needed continue restraints work
(edit) @661   13 years toby complete revision number tracking
(edit) @652   13 years vondreele Add delete map peaks menu item correct integration result for flat …
(edit) @648   13 years vondreele 1st stab at a unique atoms picker - mostly GUI format fix for …
(edit) @635   13 years vondreele HKLF refinement "numeric" now OK; revamp output a bit for more …
(edit) @633   13 years vondreele fix atom equivs for xxx positions, etc. continue HKLF implementation
(edit) @630   13 years vondreele major mods for HKLF data remove some dead code mark more code as dead …
(edit) @620   13 years vondreele remove excessive tabs in source code fix HKL controls GUI change HKL …
(edit) @612   13 years vondreele complete combined x/n exercise & fix bugs uncovered in process made …
(edit) @610   13 years vondreele minor cdhange to GSAS
(edit) @609   13 years vondreele adding more tutorials & fix some uncovered bugs
(edit) @607   13 years toby revise help to include tutorials on tree only; add kw args to all …
(edit) @600   13 years vondreele
(edit) @599   13 years vondreele GSASIIstruct.py - set up a DEBUG flag comment out some dead code begin …
(edit) @584   13 years vondreele add coding line everywhere more options in sample parm copy
(edit) @583   13 years vondreele add Rwp to sequential results table & plot fix bug in backflagcopy
(edit) @570   13 years toby Add checks on constraints: if problems display error window when …
(edit) @568   13 years vondreele remove gsas data window placement moved peaks are C atoms start on a …
(edit) @567   13 years toby more work on constraints
(edit) @549   13 years vondreele charge flipping
(edit) @547   13 years toby redo constraints input & editing; change file overdef in G2struct
(edit) @537   13 years vondreele some refactoring/rearrangement in GSASIIgrid.py fixes to …
(edit) @535   13 years vondreele now save & load GSAS-II instrument parameter files.
(edit) @527   13 years vondreele more on map peak fitting add a global for htmlFirstUse fix periodic …
(edit) @524   13 years toby fix cif bug; add print traceback on some exceptions
(edit) @522   13 years vondreele begin map search routines - GUI so far make map move outside unit cell …
(edit) @519   13 years vondreele fixes to ViewParmDialog? try to get size right add copy of refinement …
(edit) @513   13 years vondreele cleanup wxID entries implement powder pattern error analysis implement …
(edit) @503   13 years vondreele clean up help stuff now stays on line when resize add Rwp, etc. to …
(edit) @493   13 years vondreele clean up help stuff - get OK respons from resize & now scrolls down a …
(edit) @486   13 years vondreele edit help & fix references to it begin implementation of Fourier calcs.
(edit) @484   13 years vondreele change authorship split GSASIIelem into a GUI & non-GUI parts replace …
(edit) @483   13 years vondreele changes to eliminate wx objects (Colour & Point) from being saved in …
(edit) @482   13 years vondreele move FileDlgFixExt? to G2IO begin to add a save selected seq results to …
(edit) @478   13 years vondreele spelling error! reduce unneeded Draw() commands in structure plotting. …
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