source: trunk/GSASIIphsGUI.py

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Diff Rev Age Author Log Message
(edit) @1614   8 years vondreele Fix PDF plots & PDF Controls window issue SS names now fixed LS input …
(edit) @1612   8 years vondreele Set up SS atom defaults fix "config" error
(edit) @1611   8 years vondreele revision to GSASII.BAT - new citation for small angle allow super …
(edit) @1610   8 years toby fix atom pointer reference
(edit) @1609   8 years toby more work on phase rename: reflection lists
(edit) @1606   8 years vondreele more FillAtomLookUp? errors a few more orthorhombic SS symbols some …
(edit) @1605   8 years toby add code to prevent blank phase names
(edit) @1604   8 years vondreele make modulation wave maps fix atom index bugs begin modulated …
(edit) @1601   8 years vondreele remove some more (3+2) & (3+3) supersymmetry stuff begin …
(edit) @1599   8 years vondreele rationalize SS, RB & normal atom data; atId is after U23 followed by …
(edit) @1598   8 years vondreele insure super lattice reflection set is unique reflections only fix …
(edit) @1596   8 years vondreele some bug fixes
(edit) @1595   8 years vondreele change ValEsd? to round at 3.16228 =sqrt(10); same as old GSAS add mod. …
(edit) @1594   8 years vondreele begin Pawley refinement stuff for incommensurate structures Pawley SS …
(edit) @1590   8 years toby update grid cell editor for wx2.9+ change (see …
(edit) @1589   8 years toby 2 bugs: import phase w/invalid element; prevent 3 overlapped buttons …
(edit) @1581   8 years vondreele fix problem editing R3cR lattice parameters - incorrect angle index …
(edit) @1578   8 years vondreele add wx.Yield in RefineBox? refactor indexing for normal & superlattice …
(edit) @1548   8 years vondreele more super structure stuff - now some in unit cell indexing now using …
(edit) @1547   8 years vondreele change "Crystal size" to "Domain size" use lookups for allowed super …
(edit) @1545   8 years toby fix tab selection (again); clean up some menus
(edit) @1540   8 years toby fix select tab for older wx
(edit) @1538   8 years toby simplify Select tab for phases to look up text from menu item; old …
(edit) @1530   8 years vondreele supersymmetry modifications & revise space group display/print to give …
(edit) @1529   8 years vondreele revise display of space group info so that operators are in lined up …
(edit) @1523   8 years toby change isinstance in patch code
(edit) @1515   8 years vondreele allow '#' comments in GSAS iparm files. add class G2ColumnIDDialog for …
(edit) @1506   8 years vondreele break ReadPowderInstprm? into two pieces; OpenPowderInstprm? is new. …
(edit) @1503   8 years vondreele begin incommensurate structure stuff -new importers for SHELX HKLF5 …
(edit) @1493   8 years vondreele set move=True for GenAtom? call for FillUnitCell? show bin width in …
(edit) @1489   8 years vondreele correct Uij to U6 conversions Uij = Uk/2 for i != j; k > 2 in …
(edit) @1486   8 years toby minor bugs
(edit) @1474   8 years vondreele 1st MC/SA tutorial various MC/SA fixes fix to background peak fitting …
(edit) @1470   8 years vondreele fix missing 'outChannels' from imtrl files fix bug re missing …
(edit) @1453   8 years vondreele get HKLF data type into RefDict? create a SetDefaultDData routine in …
(edit) @1450   8 years toby minor cleanups of Phase GUI
(edit) @1438   8 years vondreele missed the code for the Alt key fix
(edit) @1381   8 years toby fix blank initial GL window for structure
(edit) @1378   8 years toby wxPython 2.9 fixes: FlexGridSizer?, wx.Colour, MacOpenFile?; move bind …
(edit) @1360   8 years vondreele add SRM660b to ImageCalibrants?.py revamp element stuff to use …
(edit) @1359   8 years vondreele start allowing reading of multiple HKLF files. put an IndexAllIds? into …
(edit) @1283   8 years vondreele open a SASD gpx file now starts at SASD file & plot fix 2/a & 2/c …
(edit) @1239   8 years vondreele wx.ALIGN_CENTER_VERTICAL to WACV in G2ddataGUI fix data frame size for …
(edit) @1233   8 years vondreele replace wx.Align_CENTER_VERTICAL with WACV in G2pwdGUI & G2phsGUI …
(edit) @1229   8 years vondreele more fine tuning of image recalibrate James Hester's fix to Pawley …
(edit) @1228   8 years vondreele remove diagnostic prints in image calibration stuff some fine tuning …
(edit) @1207   9 years vondreele add contrast calculator GUI (does nothing yet) to SASD fix notebook …
(edit) @1206   9 years vondreele fix to notebook add run no. to MC/SA progress bar
(edit) @1203   9 years vondreele show q in powder/sasd plots work on absorption corr. for sasd data
(edit) @1183   9 years toby fixup number formatting; update produced doc files
(edit) @1172   9 years toby ask to link phases to histograms after an import of either; rethink …
(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 …
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