source: trunk

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Diff Rev Age Author Log Message
(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) @847   12 years vondreele make sure instrumnet parameters are varied/printed in sorted order - …
(edit) @846   12 years vondreele Fix to edf image file read
(edit) @845   12 years vondreele fix of fxye reader to include Goniometer radius
(edit) @844   12 years vondreele put separator lines in General page & between data sets in Data page …
(edit) @843   12 years vondreele set proper defaults for Controls improve HKLF plot
(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) @839   12 years vondreele draw bonds between map peaks
(edit) @838   12 years vondreele fixed single crystal refinement - implement wtFactor Hessian & …
(edit) @837   12 years vondreele more on rigid bodies - imput of text file of coordinates work on HKL …
(edit) @836   12 years vondreele finish restraint rigid body input & display
(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) @832   12 years vondreele key.ico fix
(edit) @831   12 years vondreele more on rigid bodies
(edit) @830   12 years vondreele missing fortran sources for TOF
(edit) @829   12 years vondreele
(edit) @828   12 years vondreele fix a constraint error change powder plot titles
(edit) @827   12 years vondreele added gonio angles to image GUI for transfer to powder data sample GUI …
(edit) @826   12 years vondreele fixes to restraints - texture now works
(edit) @825   12 years vondreele small fixes to restraint processing
(edit) @824   12 years vondreele added read of edf (European data file) image files more work on …
(edit) @823   12 years vondreele begin Rigid Body GUI stuff - make tree entry & main GUI GUI code is in …
(edit) @822   12 years vondreele restraints for bond, angle, plane & chiral volume complete chem. comp. …
(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) @819   12 years vondreele restraint fixes
(edit) @818   12 years vondreele complete restraint GUI stuff provide restraint plots for torsions & …
(edit) @817   13 years vondreele new GSASIIdata.py for useful data add ramachandran calcs show unit …
(edit) @816   13 years vondreele
(edit) @815   13 years vondreele another hot key more restraint development
(edit) @814   13 years vondreele implement hot keys for some main menu & menu items fix crash in …
(edit) @813   13 years vondreele a bit more restraint fix
(edit) @812   13 years vondreele add restraint macro files fix a triclinic error in genHlaue continue …
(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) @809   13 years vondreele apply zero point to plot x
(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) @806   13 years vondreele test
(edit) @805   13 years vondreele
(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) @802   13 years vondreele final fixup of instrument parameters GUI display
(edit) @801   13 years vondreele fix TOF peak fitting - needed cw*derivs
(edit) @800   13 years vondreele key.ico --> Key.ico
(edit) @799   13 years toby lower case name to match source code
(edit) @798   13 years vondreele more peak fitting work including TOF
(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) @794   13 years vondreele still more iparm fixes - maybe that's all of them?
(edit) @793   13 years vondreele more iparm fixes
(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) @790   13 years vondreele update help stuff for phase tabs
(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) @785   13 years vondreele small GUI fix
(edit) @784   13 years vondreele add 10x sucrose data
(edit) @783   13 years vondreele finish up the cell keep during indexing
(edit) @782   13 years vondreele add flag for keep in cells from indexing result add keep to indel …
(edit) @781   13 years vondreele small fix to one of the popup dialog boxes
(edit) @780   13 years vondreele fix sph. harm. error - bad acosd in CrsAng? small detail in G2struct - …
(edit) @779   13 years vondreele try polynomial expansion for density peak fitting - OK result
(edit) @778   13 years toby add help separator as per request from Bob
(edit) @777   13 years vondreele fix problem with missing peakMax
(edit) @776   13 years toby revise menu creation to add 2nd separator on mac and put Help as final …
(edit) @775   13 years vondreele filling binwin2.6 with g77 stuff
(edit) @774   13 years vondreele Add find equivalent peaks to mappeaks
(edit) @773   13 years vondreele improve atom, drawatom & mappeak selection
(edit) @772   13 years vondreele add a print for bindir. Shows up at very beginning of GSAS-II startup.
(edit) @771   13 years vondreele actually no change in SConstruct
(edit) @770   13 years vondreele defin e variables in fellipse.for
(edit) @769   13 years vondreele g77 versions
(edit) @768   13 years vondreele fix pypowder for gfortran & rebuild binwin2.7
(edit) @767   13 years vondreele replace all python2.7 32bit windows pyd files - some of the old ones …
(edit) @766   13 years vondreele map peaks now show with gray scale proportional to density
(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) @760   13 years toby try to deal with unrecognized space group symbols
(edit) @759   13 years vondreele fix excessive redraws of structure - no redraw on setfocus
(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
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