source: trunk/GSASIIspc.py

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Diff Rev Age Author Log Message
(edit) @1747   10 years vondreele a few more SS site symmetries
(edit) @1715   10 years vondreele make plot styles global instead of individual; now qplot, dplot work …
(edit) @1709   10 years toby change sphinx docs links; rebuild & fixing minor formatting
(edit) @1699   10 years vondreele rework the DData window - now shows only one histogram at a time. …
(edit) @1695   10 years vondreele 4/m ss site symmetries seem now all ok
(edit) @1692   10 years vondreele further work on SS special position parameter restrictions - …
(edit) @1658   10 years vondreele correct bugs in single crystal cif output - now good for TOF data …
(edit) @1643   10 years vondreele fix input of TOF hkl data fix bond angle calculations fix 2D & 3D hkl …
(edit) @1638   10 years vondreele remove status bar from restraint pages. Wasn't used & failed for …
(edit) @1637   10 years vondreele fixes to peak indexing routines; new Inst argument for getHKLpeak …
(edit) @1636   10 years vondreele modulation constraints for mono & ortho are now OK.
(edit) @1635   10 years vondreele modulation functions & constraints
(edit) @1630   10 years vondreele add export routine for tables of x,y0,y1,y2,... for multiple powder …
(edit) @1625   10 years vondreele add a parameter to result from G2stIO.GetPhaseData? add modulation …
(edit) @1615   10 years vondreele more work on incommensurate wave input to LS fix FillAtomLookup? …
(edit) @1613   10 years vondreele missing menu items in PDF controls trap PDF plotting if no PDF to plot …
(edit) @1612   10 years vondreele Set up SS atom defaults fix "config" error
(edit) @1611   10 years vondreele revision to GSASII.BAT - new citation for small angle allow super …
(edit) @1606   10 years vondreele more FillAtomLookUp? errors a few more orthorhombic SS symbols some …
(edit) @1602   10 years vondreele fix SaveIntegration? - wrong default for Index Peaks List add some more …
(edit) @1598   10 years vondreele insure super lattice reflection set is unique reflections only fix …
(edit) @1587   11 years vondreele use successive approx. to get d from TOF allow sorting on …
(edit) @1578   11 years vondreele add wx.Yield in RefineBox? refactor indexing for normal & superlattice …
(edit) @1572   11 years vondreele complete SS indexing, apply hklm extinction rules cleanup indexing, …
(edit) @1571   11 years vondreele fix typos in small angle tutorials add menu with copy & reset to …
(edit) @1570   11 years vondreele fix to G2strIO for space group output. finish interpretation of super …
(edit) @1569   11 years vondreele Make 222, mm2, m2m & 2mm SS work. Fill some SS choices
(edit) @1568   11 years vondreele revise super space group to reflect latest table of unique SS groups …
(edit) @1567   11 years vondreele fixups of some tetragonals & hexagonals - now confirmed by B. …
(edit) @1565   11 years vondreele super symmetry stuff - all complete except orthorhombic
(edit) @1564   11 years vondreele fix display of space group stuff mode work on super symmetry
(edit) @1561   11 years vondreele avoid error on startup with no file name fix derivative errors for …
(edit) @1559   11 years vondreele use deepcopy for various copy operations in G2ddataGUI use …
(edit) @1548   11 years vondreele more super structure stuff - now some in unit cell indexing now using …
(edit) @1547   11 years vondreele change "Crystal size" to "Domain size" use lookups for allowed super …
(edit) @1546   11 years vondreele super symm for trigonal/rhom done
(edit) @1539   11 years vondreele fix GOF & more supercell stuff
(edit) @1534   11 years toby fix unit tests
(edit) @1533   11 years vondreele further on supersymmetry; monoclinics done, hexagonals (not 6/mmm) …
(edit) @1531   11 years vondreele fix getVCOV; nonexistant parms return zero. fix space group output in …
(edit) @1530   11 years vondreele supersymmetry modifications & revise space group display/print to give …
(edit) @1529   11 years vondreele revise display of space group info so that operators are in lined up …
(edit) @1515   11 years vondreele allow '#' comments in GSAS iparm files. add class G2ColumnIDDialog for …
(edit) @1489   11 years vondreele correct Uij to U6 conversions Uij = Uk/2 for i != j; k > 2 in …
(edit) @1480   11 years vondreele reset mustrain now gives correct SHKL coefficients for a 1000 mustrain …
(edit) @1471   11 years vondreele fix the Move=True stuff in G2spc.GenAtom? & force molecule centers to …
(edit) @1169   11 years vondreele fix space group ops. cif output
(edit) @973   12 years vondreele
(edit) @963   12 years toby more CIF work, more docs
(edit) @956   12 years toby snapshot of CIF dev
(edit) @946   12 years toby update self-docs, start work on constraints object
(edit) @941   12 years toby fix Matts mac bug on switching phase tabs; start doc of phase …
(edit) @939   12 years toby fix & cleanup unit tests; add/change doc strings for sphinx; add all …
(edit) @808   13 years vondreele Add Babinet modification to form factors - works OK Use atom Ids for …
(edit) @762   13 years toby update py files to use native line ends, add update from svn to help …
(edit) @760   13 years toby try to deal with unrecognized space group symbols
(edit) @740   13 years vondreele bug fixes
(edit) @736   13 years vondreele add space group choice to cell indexing page
(edit) @661   13 years toby complete revision number tracking
(edit) @646   13 years vondreele eliminate Friedel argument in genHKLf - didn't do anything work on …
(edit) @584   13 years vondreele add coding line everywhere more options in sample parm copy
(edit) @530   13 years vondreele small fix to HessianLSQ about # of cycles finish map peak search (no …
(edit) @504   13 years vondreele fix up space group print stuff
(edit) @477   13 years vondreele final fixes to dist-angle-torsion calc.
(edit) @459   13 years vondreele fix bug in GenAtom? - didn't eliminate special position duplicates …
(edit) @404   14 years vondreele put error bars on seq refinement plots add cubic elastic strain coeff …
(edit) @388   14 years vondreele add SGPolax to SGData dictionary - marks arbitrary axes in polar space …
(edit) @380   14 years vondreele completed Rietveld refinement version
(edit) @372   14 years vondreele Add new background functions & rework background GUI Add hydrostatic …
(edit) @342   14 years vondreele major modifications to get 1st "working" version of Refine Add …
(edit) @230   14 years vondreele add svn keywords & add log intensity plotting
(edit) @193   14 years vondreele various fixes, but still bugs. GSASII.py - add more sample parameters …
(edit) @170   15 years toby updates for self tests: update test input to reflectformatting changes …
(edit) @167   15 years vondreele image fixes for offset detector drawing/phase fixes
(edit) @166   15 years vondreele fixups of atom editing/atom drawing
(edit) @165   15 years vondreele patches for atom plotting & phase/histogram edits
(edit) @163   15 years vondreele new versions
(edit) @160   15 years vondreele my bad in genAtom
(edit) @159   15 years vondreele added new genHKL to G2spc
(edit) @155   15 years vondreele changes for structure drawing
(edit) @143   15 years vondreel Modification of SGPrint to put building of op strings into MT2text & …
(edit) @142   15 years vondreel major refactor of phase editing, EXP & PDB import replace "general" …
(edit) @102   15 years toby add space group list; fix minor bugs in GenHLaue & add unit test
(edit) @69   15 years toby fix GSASIIspc self-tests
(edit) @65   15 years vondreel remove all path setup code & replace with a simple import of GSASIIpath.
(edit) @57   15 years toby fixup unit test for GSASIIspg.py; provide files & Makefile for pyspg.for
(edit) @41   15 years vondreel
(edit) @39   15 years toby move space group code into separate fortran module
(edit) @33   15 years toby fix up package paths
(edit) @30   15 years toby document GSASIIspc for independent use and develop unit tests
(add) @13   15 years vondreel
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