source: trunk/GSASIIphsGUI.py

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Diff Rev Age Author Log Message
(edit) @2461   9 years vondreele magnetic space group determination done
(edit) @2458   9 years vondreele Mag space group work
(edit) @2451   9 years vondreele Add target atom type selection to sphere of enclosure
(edit) @2450   9 years vondreele fix error in matrix in getCellEsd & RetDistAngle? Add new atom drawing …
(edit) @2431   9 years vondreele fix problem with wxPython 3.x with changing text entry focus. Needed a …
(edit) @2430   9 years vondreele force limits from d-min to be within allowed range & less than 168.5 …
(edit) @2429   9 years vondreele force powder histograms limits to conform to dmin choice for Pawley …
(edit) @2423   9 years vondreele fix bug in charge flip phase plotting
(edit) @2406   9 years vondreele change spin flip from red/black to -1/1
(edit) @2401   9 years vondreele begin adding magnetism; change space group fortran code modify …
(edit) @2311   9 years vondreele add tracking of 5 user selected reflection phases during charge …
(edit) @2285   9 years vondreele add importer for Shelx .ins files also one for old GSAS Pnn powder …
(edit) @2278   9 years vondreele add calculation of total fault density to Layers GUI trap another plot …
(edit) @2276   9 years vondreele show plotted layer names on plot status bar
(edit) @2272   9 years vondreele add Stacking Faults II tutorial add a Copy Phase command to Layers …
(edit) @2249   9 years vondreele fix bug in stacking fault dialog add stacking fault-I to tutorial menu
(edit) @2245   9 years vondreele add a line to the layer GUI informing lack of refinement capability …
(edit) @2243   9 years vondreele put Dx,Dy & Dz into future stacking fault parameters
(edit) @2242   9 years vondreele change default stack inst to Gaussian provide labels for plots of …
(edit) @2237   9 years vondreele Add a useful print in stacking simulations trap PyAssertionErrors? & …
(edit) @2236   9 years vondreele allow delete last layer & fraction input for stacking probability
(edit) @2234   9 years toby implement code to select appropriate tree time when a plot tab is selected
(edit) @2233   9 years vondreele force transposed phase atoms to be in unit cell modify structure plot …
(edit) @2230   9 years vondreele comment out the Atoms Rotate menu option - might be ill conceived
(edit) @2229   9 years vondreele Add Atom Rotate option
(edit) @2218   9 years vondreele work on cell transformations - fills new cell with unique atom set, …
(edit) @2216   9 years vondreele implement import layer from another gpx file
(edit) @2212   9 years vondreele Implement 'abc*' as one of the 'Common' cell transformations. …
(edit) @2211   9 years vondreele some work on Transform Phase menu item. uncomment the if Page.context …
(edit) @2210   9 years vondreele Add messages for completion of simulations
(edit) @2209   9 years vondreele Add symmetry (inversion thru ccenter!) to transition probability …
(edit) @2207   9 years vondreele remove DIFFaX.exe from bin directories - no longer used
(edit) @2206   9 years vondreele find errors in stacking fortran - replace both binwin directories …
(edit) @2205   9 years vondreele implement sequential stacking fault calculations with plotting fix PlotXY
(edit) @2204   9 years vondreele fix stacking fault initial setup bug
(edit) @2197   9 years vondreele replace pyd files for binwin2.7 & binwin64-2.7 implement new pyGetSpc …
(edit) @2195   9 years vondreele remove selected area image multiplier - not necessary fix image …
(edit) @2191   9 years vondreele reduce printing from DIFFaX routines - new fortran binaries fix bug in …
(edit) @2187   9 years vondreele Modify the Cite please banners to add small angle & DIFFaX references …
(edit) @2184   9 years vondreele fix problems in adding atoms, etc for 'faulted' phases in the regular …
(edit) @2183   9 years vondreele fix General - atomic wt. now updated on isotope change add new …
(edit) @2182   9 years vondreele change selected area diffr multiplier to be pwrs of 2 change layer …
(edit) @2181   9 years vondreele remove stray print from G2plot cleanup stacking sequence part of Stack …
(edit) @2177   9 years vondreele add ranges to Sadp plots
(edit) @2176   9 years vondreele add some labels to selected area plots
(edit) @2175   9 years vondreele modify DIFFaXDialog - more parameters add selected are plot as a pylab plot
(edit) @2174   9 years vondreele fix image integrate and integrate all with dark & background images …
(edit) @2172   9 years vondreele add new dialog for DIFFaX controls (now empty) fix layer pair plotting …
(edit) @2170   9 years vondreele fix isotope problem for atyoms with no "Nat. Abund." add scale & …
(edit) @2167   9 years vondreele clean up of stacking fault stuff
(edit) @2166   9 years vondreele add GetMeanWave? to G2math to return Ka-bar more work on Stacking …
(edit) @2165   9 years vondreele stacking fault plots now OK add new menu item - 'simulate'
(edit) @2163   9 years vondreele plotting of stacking layers, some stacking GUI changes
(edit) @2162   9 years vondreele oops fix
(edit) @2161   9 years vondreele Add GUI for layer stacking structures - almost complete; new phase …
(edit) @2154   9 years vondreele remove range restriction on LGmix - inhibited doing refinements do …
(edit) @2138   9 years vondreele Add a Use data menu item in the phase Data tab to allow global …
(edit) @2132   9 years vondreele more rationalization of FWHM calculations
(edit) @2116   9 years vondreele change error message about 'X' space groups! add Transform stub in …
(edit) @2113   9 years vondreele better cleanup when main window is closed add FlagSetDialog? class & …
(edit) @2111   9 years vondreele fix to mod vec edit & search comment out unused StructureFactorDerv? …
(edit) @2110   9 years vondreele add menu item for global setting of wave vary parameters - TBD split …
(edit) @2109   9 years toby Andrey's enhancement: keep track of last GPX, import & export …
(edit) @2100   9 years vondreele add CFXraySingleCrystal to list of tutorials fix bug in AtomInsert? - …
(edit) @2097   9 years vondreele name fix in AtomTypeSelect? - remove ( & ) split StructureFactorDeriv? …
(edit) @2077   10 years vondreele refactor wave data display to do one atom at a time instead of a long GUI
(edit) @2075   10 years vondreele explicit plot destroy when GSAS2 closes work on scrolling on phase …
(edit) @2070   10 years vondreele remove extraneous argument from G2mth.posFourier work on ZigZag/Block? …
(edit) @2064   10 years vondreele more fixed to SS modulation display & Refine listing
(edit) @2063   10 years vondreele typo - bad indent
(edit) @2062   10 years vondreele exclude non variable SS parms from constraint lists define ZigZag? & …
(edit) @2050   10 years vondreele include Bank no in Instrument parameters - no check yet expand range …
(edit) @2040   10 years vondreele make sure XSC is reflection import default Type convert Biso to Uiso …
(edit) @2039   10 years vondreele remove "crenelType" from SS atom data - won't be needed implement …
(edit) @2036   10 years toby roll back 2033
(edit) @2033   10 years toby change a few imports for RTFD
(edit) @2025   10 years vondreele
(edit) @2009   10 years vondreele remove 4Dfourier menu from Wave Data page (best done from General …
(edit) @2005   10 years vondreele add print every 100 refl. in structurefactorderv routines fix atom loc …
(edit) @1993   10 years vondreele numerical derivatives for x modulations - work but slow show density …
(edit) @1988   10 years vondreele fix atom id problem in AddRestraints? refactor Modulation & …
(edit) @1981   10 years vondreele fixes to modulation plots & 3D & 4D Fourier map processing
(edit) @1978   10 years vondreele fix to update reflections in HKLplot remove ZigZag? from incommensurate …
(edit) @1964   10 years vondreele fix bug in atomadd for SS structures make sure ComboBoxes? are READONLY …
(edit) @1963   10 years vondreele fix wx 3.x issue with ComboBox? & nonstandard SSpace group symbols
(edit) @1958   10 years vondreele add r-values by SS index add a fade for frac modulation of atoms in …
(edit) @1957   10 years vondreele work on SS structure factors some refactoring of SS special pos code …
(edit) @1953   10 years vondreele code simplification in FillUnitCell? & MoveToUnitCell? fix error in GenAtom?
(edit) @1951   10 years vondreele implement drawing of incommensurate structures - live variation wrt …
(edit) @1947   10 years vondreele do export of pole figures & inverse pole figures as csv files (can be …
(edit) @1945   10 years vondreele fix another new histo in new phase error some cleanup in texture …
(edit) @1944   10 years vondreele add G2HistDataDialog for editing e.g. orientation angles over all …
(edit) @1940   10 years vondreele use atom types in H-atom add; cleanup HydId? dict when H-atoms deleted
(edit) @1939   10 years vondreele change atom naming conventions - remove '()' and H atoms are numbered …
(edit) @1938   10 years vondreele H atoms now inserted into Atom list after their attchment (C, N or O)
(edit) @1936   10 years vondreele Add a printed "score" for unique peaks determination Add "2-theta" to …
(edit) @1935   10 years vondreele apply Uiso (equiv) for H-atom generation/update revise H-atom addition …
(edit) @1933   10 years vondreele remove old reflection style patches in G2phsGUI & G2plot fix hkl & …
(edit) @1931   10 years vondreele Autoupdate of atom drawing table and drawing after LS refinement and …
(edit) @1930   10 years vondreele allow exclude atoms from H-atom position calcs. hydrogen add …
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