source: trunk/GSASIIphsGUI.py

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Diff Rev Age Author Log Message
(edit) @1012   12 years vondreele add svn header to G2cif.py and GSASIIpath to imports add DEBUG to skip …
(edit) @1011   12 years vondreele fix updates of atom parms when RB parms are modified. Edit Pawley tutorials
(edit) @1007   12 years vondreele "improved" Pawley extraction by flipping negative intensitied to 1/2 …
(edit) @1006   12 years toby fix Bob's bug when multiple HKL files are read; pickup shelx …
(edit) @1001   12 years vondreele tweak MC/SA
(edit) @1000   12 years vondreele small fit to export hkl some fixes to phase tab startup.
(edit) @996   12 years vondreele put in missing bind for MC/SA calculation
(edit) @995   12 years vondreele remove extra imports, etc. from GSASIIddataGUI.py Select page --> …
(edit) @994   12 years vondreele put back in oldPage stuff inadvertently deleted from GSASIIphsGUI
(edit) @992   12 years vondreele remove test prints
(edit) @991   12 years vondreele cov matrix scaling changes new select page menu for phase pages - test …
(edit) @988   12 years vondreele remove stray hyperlinks from gsasII.html rework phase window resizing
(edit) @987   12 years vondreele GLUT eliminated! Now use gltext for all atom labelling
(edit) @984   12 years vondreele update Win2.7 g77 binaries cov matrix now not modified by lam no label …
(edit) @978   12 years vondreele make MC/SA fortran stuff all REAL*8 add glFreeType.py - doesn't work …
(edit) @970   12 years vondreele more fixups of MC/SA
(edit) @966   12 years vondreele a bit of MCSA stuff
(edit) @962   12 years vondreele implement multiprocessing for MC/SA calculations
(edit) @961   12 years vondreele fix rb constraints - useCount fix Uij2Ueqv mods to anneal algorithms …
(edit) @953   12 years vondreele fixes to RB refinement & MC/SA
(edit) @952   12 years vondreele fixes to MC/SA stuff
(edit) @951   12 years vondreele more on MC/SA
(edit) @950   12 years vondreele a few MC/SA changes some work on GSASIImath docs dummy string replaced …
(edit) @949   12 years vondreele changes to MC/SA stuff
(edit) @946   12 years toby update self-docs, start work on constraints object
(edit) @942   12 years vondreele mods for MC/SA: moved scat fac routines from GSASIIstrIO.py & …
(edit) @941   12 years toby fix Matts mac bug on switching phase tabs; start doc of phase …
(edit) @940   12 years vondreele conflicts fixed
(edit) @936   12 years vondreele more MC/SA stuff further drawing optimization
(edit) @934   12 years vondreele changes for MC/SA
(edit) @927   12 years vondreele more G2str fixes
(edit) @925   12 years toby always resize draw options window
(edit) @924   12 years toby plot fixes: save more Draw Options widgets & reference directly; fix …
(edit) @922   12 years toby prevent phase tab from multiple call by plot using CallAfter?
(edit) @916   12 years toby switch General & Draw Options tabs to wx.ScrolledWindow?
(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) @889   12 years vondreele add torsion angle derivatives in RB small fixes to other RB stuff
(edit) @885   12 years vondreele add 'Global' to constraints remove a stray debug print fix U6toUij so …
(edit) @882   12 years vondreele more RB progress
(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) @879   12 years vondreele complete rb input to refinement
(edit) @876   12 years vondreele fix to HKLF data read routine
(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) @861   12 years vondreele more rigid body stuff
(edit) @860   12 years vondreele more fixes to rigid body stuff
(edit) @859   12 years vondreele still more rigid body fixes add thermal motion models allow copy of RB …
(edit) @857   12 years vondreele fix Uiso & Uij atom editing for atoms in rigid bodies
(edit) @856   12 years vondreele fix RB window behavior
(edit) @855   12 years vondreele RB input mostly finished; now has thermal motion models
(edit) @854   12 years vondreele more rigid body stuff
(edit) @853   12 years vondreele more rigid body stuff
(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) @844   12 years vondreele put separator lines in General page & between data sets in Data page …
(edit) @842   12 years vondreele single crystal extinction refinement complete & tested some seems to …
(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) @835   12 years vondreele more work on rigid bodies fixes for crash in selecting wavelengths
(edit) @834   12 years vondreele
(edit) @833   12 years vondreele wx.CallAfter?(Paint) in atoms editing.
(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) @821   12 years vondreele fixes to Pawley restraint etc.
(edit) @820   12 years vondreele restraints development - almost done works for bonds, angles, planes & …
(edit) @817   12 years vondreele new GSASIIdata.py for useful data add ramachandran calcs show unit …
(edit) @815   12 years vondreele another hot key more restraint development
(edit) @814   12 years vondreele implement hot keys for some main menu & menu items fix crash in …
(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) @804   13 years vondreele remove a "finally" that isn't needed & gives errors sometimes
(edit) @803   13 years vondreele GSASIImath.py: map search gives mag in name, & change a looping form …
(edit) @797   13 years vondreele some fixes to TOF stuff some fixes to SXC stuff
(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) @789   13 years vondreele different solution to the move atom problem - works better
(edit) @788   13 years vondreele tweak of atom move
(edit) @787   13 years vondreele remove stray debug print
(edit) @786   13 years vondreele allow dragging of atoms from one part of atom list to another
(edit) @781   13 years vondreele small fix to one of the popup dialog boxes
(edit) @774   13 years vondreele Add find equivalent peaks to mappeaks
(edit) @773   13 years vondreele improve atom, drawatom & mappeak selection
(edit) @765   13 years toby refactor menus on Mac, clean up main menu generation
(edit) @764   13 years vondreele messed up - these are the new versions
(edit) @763   13 years vondreele change peak search algorithm - now much faster & more complete
(edit) @762   13 years toby update py files to use native line ends, add update from svn to help …
(edit) @761   13 years toby try looking up space groups in table when needed with user input
(edit) @758   13 years vondreele fix in sph. harm. for hex/rhom/trig fix for view dir in plots remove a …
(edit) @757   13 years vondreele remove inverse check from peak search - didn't work implement Zshift …
(edit) @756   13 years vondreele change display of density maps - now faster implement a view direction …
(edit) @755   13 years vondreele fix rotation about view direction eliminate divide by zero error in …
(edit) @754   13 years vondreele final cleanup of quaternion stuff
(edit) @753   13 years vondreele change structure rotation mechanisms - now use quaternions
(edit) @752   13 years vondreele add peak distance, view point selection & distance options allow …
(edit) @751   13 years vondreele peak search limit now 1000 peaks allow modification of view point in …
(edit) @750   13 years vondreele put inverse checker back in SearchMap? add atom rename facility update …
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