source: trunk/GSASIIphsGUI.py

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Diff Rev Age Author Log Message
(edit) @1161   9 years toby finish ISODISTORT occupancy modes
(edit) @1160   9 years toby finish ISODISPLACE fixes; improve show var window; improve help …
(edit) @1150   9 years toby Catch phase w/o histogram error
(edit) @1147   9 years toby Complete initial ISODISPLACE implementation; mod. phase …
(edit) @1142   9 years vondreele add 2*Fo-Fc omit to Fourier map collection
(edit) @1116   9 years vondreele put in progress bar for omit map calculation
(edit) @1110   9 years vondreele removed Uniq % Phi from reflection data structure - make locally …
(edit) @1107   9 years vondreele make reflist np.array fix bug - hfx+'Type' needs to be in parmDict
(edit) @1106   9 years vondreele modify reflection array to be a dictionary with 4 items: RefList?, …
(edit) @1100   9 years vondreele finish 1st version (workable) of a PDB exporter for macromolecular …
(edit) @1097   9 years vondreele mods to restraint GUI & LS output for restraints correct torsion & …
(edit) @1076   9 years vondreele again fix MC/SA window scroll behavior & small start on dummy histograms
(edit) @1075   9 years vondreele implement new March-Dollase term in MC/SA
(edit) @1071   9 years vondreele change tolerance on RB atom matching; wasn't big enough
(edit) @1070   9 years vondreele fix MC/SA solution grid behavior
(edit) @1066   9 years vondreele more MC/SA fixes
(edit) @1065   9 years vondreele add MC refinement to MC/SA - works
(edit) @1060   9 years vondreele mods to MC/SA stuff - some speedup done
(edit) @1056   9 years vondreele restore multiprocessing MCSA
(edit) @1055   9 years vondreele working MC/SA
(edit) @1052   9 years vondreele fix to 64bit version - needed a SetFocus?() after MC/SA run in case …
(edit) @1051   9 years vondreele remove all mcsa fortran code - not needed replace 32-bit Windows …
(edit) @1045   9 years vondreele fix Fourier map problems - didn't like Fo<0. use ErrorDialog? for some …
(edit) @1042   9 years vondreele fixed HKLF data bug
(edit) @1033   9 years toby Fix Select tab menu buttons by getting unused Id values
(edit) @1028   9 years toby print/export distances & angles
(edit) @1022   9 years toby fix error on adding an atom to a new phase before Draw Options are …
(edit) @1020   9 years toby fix Matt's path bug; minor disagl cleanup
(edit) @1016   9 years vondreele remove PawleyDelete? - not used fix floating point error in vcov matrix …
(edit) @1015   9 years vondreele allow delete of individual Pawley reflections
(edit) @1012   9 years vondreele add svn header to G2cif.py and GSASIIpath to imports add DEBUG to skip …
(edit) @1011   9 years vondreele fix updates of atom parms when RB parms are modified. Edit Pawley tutorials
(edit) @1007   9 years vondreele "improved" Pawley extraction by flipping negative intensitied to 1/2 …
(edit) @1006   9 years toby fix Bob's bug when multiple HKL files are read; pickup shelx …
(edit) @1001   9 years vondreele tweak MC/SA
(edit) @1000   9 years vondreele small fit to export hkl some fixes to phase tab startup.
(edit) @996   9 years vondreele put in missing bind for MC/SA calculation
(edit) @995   9 years vondreele remove extra imports, etc. from GSASIIddataGUI.py Select page --> …
(edit) @994   9 years vondreele put back in oldPage stuff inadvertently deleted from GSASIIphsGUI
(edit) @992   9 years vondreele remove test prints
(edit) @991   9 years vondreele cov matrix scaling changes new select page menu for phase pages - test …
(edit) @988   9 years vondreele remove stray hyperlinks from gsasII.html rework phase window resizing
(edit) @987   9 years vondreele GLUT eliminated! Now use gltext for all atom labelling
(edit) @984   9 years vondreele update Win2.7 g77 binaries cov matrix now not modified by lam no label …
(edit) @978   9 years vondreele make MC/SA fortran stuff all REAL*8 add glFreeType.py - doesn't work …
(edit) @970   9 years vondreele more fixups of MC/SA
(edit) @966   9 years vondreele a bit of MCSA stuff
(edit) @962   9 years vondreele implement multiprocessing for MC/SA calculations
(edit) @961   9 years vondreele fix rb constraints - useCount fix Uij2Ueqv mods to anneal algorithms …
(edit) @953   9 years vondreele fixes to RB refinement & MC/SA
(edit) @952   9 years vondreele fixes to MC/SA stuff
(edit) @951   9 years vondreele more on MC/SA
(edit) @950   9 years vondreele a few MC/SA changes some work on GSASIImath docs dummy string replaced …
(edit) @949   9 years vondreele changes to MC/SA stuff
(edit) @946   9 years toby update self-docs, start work on constraints object
(edit) @942   9 years vondreele mods for MC/SA: moved scat fac routines from GSASIIstrIO.py & …
(edit) @941   9 years toby fix Matts mac bug on switching phase tabs; start doc of phase …
(edit) @940   9 years vondreele conflicts fixed
(edit) @936   9 years vondreele more MC/SA stuff further drawing optimization
(edit) @934   9 years vondreele changes for MC/SA
(edit) @927   9 years vondreele more G2str fixes
(edit) @925   9 years toby always resize draw options window
(edit) @924   9 years toby plot fixes: save more Draw Options widgets & reference directly; fix …
(edit) @922   9 years toby prevent phase tab from multiple call by plot using CallAfter?
(edit) @916   9 years toby switch General & Draw Options tabs to wx.ScrolledWindow?
(edit) @912   9 years toby Change phase data window so that user resize is tracked and saved; …
(edit) @906   9 years toby switch to aui.notebook for data display window; work on phase data …
(edit) @889   9 years vondreele add torsion angle derivatives in RB small fixes to other RB stuff
(edit) @885   9 years vondreele add 'Global' to constraints remove a stray debug print fix U6toUij so …
(edit) @882   9 years vondreele more RB progress
(edit) @881   9 years vondreele more RB editing & fixes '+0' & '-0' (vice versa) removed from any cif …
(edit) @880   9 years toby Implement read for Reimport
(edit) @879   9 years vondreele complete rb input to refinement
(edit) @876   9 years vondreele fix to HKLF data read routine
(edit) @863   9 years vondreele fix to notebook & comment (not allowed) editing avoid a dead window …
(edit) @862   9 years vondreele start on a reload of atom coordinates small fix to rb stuff - redraw …
(edit) @861   9 years vondreele more rigid body stuff
(edit) @860   9 years vondreele more fixes to rigid body stuff
(edit) @859   9 years vondreele still more rigid body fixes add thermal motion models allow copy of RB …
(edit) @857   9 years vondreele fix Uiso & Uij atom editing for atoms in rigid bodies
(edit) @856   9 years vondreele fix RB window behavior
(edit) @855   9 years vondreele RB input mostly finished; now has thermal motion models
(edit) @854   9 years vondreele more rigid body stuff
(edit) @853   9 years vondreele more rigid body stuff
(edit) @851   9 years vondreele more rigid body stuff, plotting, RB placement, import of more types of …
(edit) @850   9 years vondreele fix problem with atoms with An+ style of valence more places for size …
(edit) @849   9 years vondreele more work on rigid bodies - now put into crystal structures, atom edit …
(edit) @848   9 years vondreele move all class stuff in GSAIIphsGUI to GSASIIgrid.py move all DData …
(edit) @844   9 years vondreele put separator lines in General page & between data sets in Data page …
(edit) @842   9 years vondreele single crystal extinction refinement complete & tested some seems to …
(edit) @841   9 years vondreele put in Monte Carlo - Simulated Annealing controls start on rigid body …
(edit) @840   9 years vondreele define torsion sequences in RBs show/hide bonds between map peaks with …
(edit) @835   9 years vondreele more work on rigid bodies fixes for crash in selecting wavelengths
(edit) @834   9 years vondreele
(edit) @833   9 years vondreele wx.CallAfter?(Paint) in atoms editing.
(edit) @831   9 years vondreele more on rigid bodies
(edit) @823   9 years vondreele begin Rigid Body GUI stuff - make tree entry & main GUI GUI code is in …
(edit) @821   10 years vondreele fixes to Pawley restraint etc.
(edit) @820   10 years vondreele restraints development - almost done works for bonds, angles, planes & …
(edit) @817   10 years vondreele new GSASIIdata.py for useful data add ramachandran calcs show unit …
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