source: trunk

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Diff Rev Age Author Log Message
(edit) @1976   10 years vondreele fix bug in plotting 3D HKLs SS str. Fctr. mods - add site fraction & …
(edit) @1975   10 years toby Address unit test problem with MoveToUnitCell?
(edit) @1974   10 years vondreele good step in ss structure factor clc.
(edit) @1973   10 years vondreele fix plot error after refine; GetPatternTreeItemId? returned zero If so …
(edit) @1972   10 years toby Element selection workaround for wx>2.8 on mac
(edit) @1971   10 years toby Add preferences option to edit configuration options
(edit) @1970   10 years vondreele Add pygauleg to pypowder.for - recompile Win2.7 & Win2.7-64 work on SS …
(edit) @1969   10 years vondreele 3Dhkl plots fixed - zone plots & full allow 'P' & 'N' steps on origin
(edit) @1968   10 years vondreele 3D axes now right way around
(edit) @1967   10 years vondreele fix zone view rotations of 3D hkls
(edit) @1966   10 years vondreele new 3D HKL plot commands for selecting view axes & set a zone plot - …
(edit) @1965   10 years toby was broken for sure when GSAS-II in /Program Files/... (etc.); …
(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) @1962   10 years vondreele made PackageVersions? a list so it comes out in same order as the other …
(edit) @1961   10 years toby save package info in GPX; display only in Debug mode
(edit) @1960   10 years toby add current version number to Controls dict on save; display on read
(edit) @1959   10 years toby fix crash with anaconda on Mac; allow for 2.7.xx version numbers
(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) @1956   10 years vondreele fix (again) fill unit cell, dynamic SS drawing & GenAtom? issues - now …
(edit) @1955   10 years vondreele Add error message for TOF calibration if peak positions weren't fitted …
(edit) @1954   10 years vondreele add print line whwn lambda is changed in Levenberg-Marquardt …
(edit) @1953   10 years vondreele code simplification in FillUnitCell? & MoveToUnitCell? fix error in GenAtom?
(edit) @1952   10 years vondreele Add modulation of thermal parameters to drawing
(edit) @1951   10 years vondreele implement drawing of incommensurate structures - live variation wrt …
(edit) @1950   10 years vondreele more work on SS special pos.
(edit) @1949   10 years vondreele add image read for Rigaku R-Axis IV files
(edit) @1948   10 years vondreele modify SS special position code
(edit) @1947   10 years vondreele do export of pole figures & inverse pole figures as csv files (can be …
(edit) @1946   10 years vondreele
(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) @1943   10 years vondreele remove H-atom riding constraint editing; unusable at present
(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) @1934   10 years vondreele fix on self.HKL error
(edit) @1933   10 years vondreele remove old reflection style patches in G2phsGUI & G2plot fix hkl & …
(edit) @1932   10 years vondreele fix problems with plotting & phase handling when there is no structure …
(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 …
(edit) @1929   10 years vondreele fix sign error in getRho 8-pt interpolation
(edit) @1928   10 years vondreele fix error in Fourier calc. new getRho routine new add OH hydrogens …
(edit) @1927   10 years vondreele more hydrogen add work
(edit) @1926   10 years vondreele Work on add Hydrogens
(edit) @1925   10 years vondreele create AddHatomDialog? & work on OnHydAtomAdd? allow reading of .cor …
(edit) @1924   10 years vondreele work on H-atom riding constraints extend "short" phase names to full …
(edit) @1923   10 years vondreele further twin work
(edit) @1922   10 years vondreele fix 1 atom powder bug implement merohedral twins of nonmerohedral twin …
(edit) @1921   10 years vondreele twin derivatives now OK.
(edit) @1920   10 years vondreele modify the pack-f.for code to read rectangular MAR images (NX != NY …
(edit) @1919   10 years vondreele Twin derivatives
(edit) @1918   10 years vondreele further mods on twins
(edit) @1917   10 years vondreele better handling of nonmerohedral twins
(edit) @1916   10 years vondreele now read mar2560 image files
(edit) @1915   10 years vondreele start on riding constraints - works for atom frac,x,y,z; skipping u's …
(edit) @1914   10 years vondreele now process non merohedral twins - still some problems
(edit) @1913   10 years vondreele fix sfact importers so twin id=1 by default GUI details for twins fixed
(edit) @1912   10 years vondreele more twin stuff - nonmerohedral mods refl[3] now twin id not mul.
(edit) @1911   10 years toby add new tutorial & cleanup
(edit) @1910   10 years vondreele fix reading run-on numbers in Shelx HKLF 4 files implement all I/O for …
(edit) @1909   10 years vondreele fix import names for HKLF files - now explicit Shelx names fix …
(edit) @1908   10 years vondreele Add save of pole figures in popLA format
(edit) @1907   10 years vondreele comment out the G2plotNB.clear in OnRefine? so that the new plot will …
(edit) @1906   10 years vondreele set lowest map search to 1.0 (from 10.)
(edit) @1903   10 years vondreele
(edit) @1902   10 years vondreele suppress editing of 1st twin element; it is always the identity matrix …
(edit) @1901   10 years toby allow makeBat to be run from inside Canopy
(edit) @1898   10 years vondreele new constraint option - constrain atom variables as a set; constrain …
(edit) @1897   10 years vondreele fix unused histogram bug in G2strIO, uncomment dFdbab lines (they …
(edit) @1896   10 years vondreele add auto constraint for TwinFr? sum = 1.0 fix TwinFr? derivative - now …
(edit) @1895   10 years vondreele fixes to background & twin stuff
(edit) @1894   10 years vondreele Twins & Flack parameter can't exist together - make each exclusive …
(edit) @1893   10 years toby fix background fitting by interpolation
(edit) @1892   10 years toby treat mis-aligned numbers as zero
(edit) @1891   10 years vondreele modify Twin GUI - single refinement flag all derivatives OK except …
(edit) @1890   10 years vondreele fix Flack derivative & other adjustments to single crystal derivatives
(edit) @1889   10 years toby Add fixed background points; animate dragging points and lines; add …
(edit) @1888   10 years vondreele
(edit) @1887   10 years vondreele default new twin to inversion twin - usual case fix twin results …
(edit) @1886   10 years vondreele refactor StructureFactor2 & StructureFactorDerv? for twinning - deriv …
(edit) @1885   10 years vondreele reload atoms now registered in General
(edit) @1884   10 years vondreele remove some unused imports add merohedral/pseudomerohedral Twin Laws …
(edit) @1883   10 years vondreele revise cif importer to handle atoms without type. Atom name is …
(edit) @1882   10 years vondreele fix bug in G2plot that only shows up in Anaconda pythons
(edit) @1881   10 years toby fix bugs in single crystal editing as well as problems with …
(edit) @1880   10 years vondreele fix wx bug in SetMapPeaksText? - 'GridWindow?' vs 'grid window' add …
(edit) @1879   10 years vondreele Flack now refining
(edit) @1878   10 years vondreele refactor DDataGUI - mostly move event routines to be inside respective …
(edit) @1877   10 years vondreele another Flack fix
(edit) @1876   10 years vondreele Flack fix
(edit) @1875   10 years vondreele add Flack parameter to GUI (commented out for now)
(edit) @1874   10 years vondreele minor formatting change for TOF peak fitting fix powder extinction & …
(edit) @1873   10 years vondreele add remaining ortho super space group symbols & check all - all done!
(edit) @1871   10 years toby add missing tutorials
(edit) @1869   10 years vondreele test super space group symbols
(edit) @1868   10 years toby error in tutorial link
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